data_r5klusf
# 
_audit.revision_id     1_0 
_audit.creation_date   2017-03-22 
_audit.update_record   "Initial release" 
# 
_cell.entry_id      5klu 
_cell.length_a      54.4890 
_cell.length_b      61.4380 
_cell.length_c      74.1650 
_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   0.9794 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.988 
_diffrn_reflns.pdbx_d_res_low    37.083 
_diffrn_reflns.limit_h_max       27 
_diffrn_reflns.limit_h_min       0 
_diffrn_reflns.limit_k_max       30 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       37 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            17402 
_diffrn_reflns.pdbx_number_obs   17390 
# 
_entry.id   5klu 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               5klu 
_symmetry.space_group_name_H-M   "P 21 21 2" 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 "X,  Y,  Z"   
2 "X,  -Y,  -Z" 
3 "-X,  Y,  -Z" 
4 "-X,  -Y,  Z" 
# 
loop_
_refln.crystal_id 
_refln.wavelength_id 
_refln.scale_group_code 
_refln.index_h 
_refln.index_k 
_refln.index_l 
_refln.status 
_refln.intensity_meas 
_refln.intensity_sigma 
_refln.pdbx_I_plus 
_refln.pdbx_I_plus_sigma 
_refln.pdbx_I_minus 
_refln.pdbx_I_minus_sigma 
1 1 1 0  0  2  o 212.0310       4.371783      212.0310       3.091317      ?              ?         
1 1 1 0  0  3  o -0.7597722E-01 0.6893448E-01 -0.7597722E-01 0.4874404E-01 ?              ?         
1 1 1 0  0  4  f 9.792884       0.5412576     9.792884       0.3827269     ?              ?         
1 1 1 0  0  5  o 9.233128       0.3503488     9.233128       0.2477340     ?              ?         
1 1 1 0  0  6  o 3590.212       74.00385      3590.212       52.32862      ?              ?         
1 1 1 0  0  7  o 84.19791       1.701889      84.19791       1.203417      ?              ?         
1 1 1 0  0  8  o 5529.542       73.28123      5529.542       51.81766      ?              ?         
1 1 1 0  0  9  o 92.26265       1.922464      92.26265       1.359387      ?              ?         
1 1 1 0  0  10 o 4.525716       0.3977134     4.525716       0.2812259     ?              ?         
1 1 1 0  0  11 o 254.0008       4.566074      254.0008       3.228702      ?              ?         
1 1 1 0  0  12 o 1342.867       19.20159      1342.867       13.57758      ?              ?         
1 1 1 0  0  13 f 86.04752       1.924257      86.04752       1.360655      ?              ?         
1 1 1 0  0  14 o 117.2692       2.510912      117.2692       1.775483      ?              ?         
1 1 1 0  0  15 o 105.6037       2.371264      105.6037       1.676737      ?              ?         
1 1 1 0  0  16 f 21.92998       0.8331370     21.92998       0.5891169     ?              ?         
1 1 1 0  0  17 o 46.05271       1.267173      46.05271       0.8960265     ?              ?         
1 1 1 0  0  18 o 144.0610       3.147331      144.0610       2.225499      ?              ?         
1 1 1 0  0  19 o 86.52257       2.397196      86.52257       1.695074      ?              ?         
1 1 1 0  0  20 o 14.08300       0.9015121     14.08300       0.6374654     ?              ?         
1 1 1 0  0  21 o 14.13299       0.9290239     14.13299       0.6569191     ?              ?         
1 1 1 0  0  22 o 2.544266       0.8837979     2.544266       0.6249395     ?              ?         
1 1 1 0  0  23 o 10.39389       1.011569      10.39389       0.7152872     ?              ?         
1 1 1 0  0  24 o 15.79598       1.125394      15.79598       0.7957734     ?              ?         
1 1 1 0  0  25 o 20.79365       1.269327      20.79365       0.8975499     ?              ?         
1 1 1 0  0  26 o 1.828092       1.087454      1.828092       0.7689462     ?              ?         
1 1 1 0  0  27 o 4.161139       1.057761      4.161139       0.7479501     ?              ?         
1 1 1 0  0  28 o 0.3530506      1.012596      0.3530506      0.7160136     ?              ?         
1 1 1 0  0  29 o 1.806097       0.9853791     1.806097       0.6967682     ?              ?         
1 1 1 0  0  30 o 0.3499064E-01  0.9508094     0.3499064E-01  0.6723238     ?              ?         
1 1 1 0  0  31 o 6.936492       0.9931038     6.936492       0.7022305     ?              ?         
1 1 1 0  0  32 o 2.894348       0.9754969     2.894348       0.6897805     ?              ?         
1 1 1 0  0  33 o 3.729458       1.015102      3.729458       0.7177852     ?              ?         
1 1 1 0  0  34 o -0.6426029     1.061100      -0.6426029     0.7503111     ?              ?         
1 1 1 0  0  35 f 4.508676       1.179316      4.508676       0.8339025     ?              ?         
1 1 1 0  0  36 o 1.596460       1.192990      1.596460       0.8435714     ?              ?         
1 1 1 0  0  37 o 0.8080201      1.245666      0.8080201      0.8808189     ?              ?         
1 1 1 0  1  2  o 61.50677       1.098317      61.50677       0.7766274     ?              ?         
1 1 1 0  1  3  o 40.86114       1.282577      40.86114       0.9069191     ?              ?         
1 1 1 0  1  4  o 18.95464       0.6087370     18.95464       0.4304421     ?              ?         
1 1 1 0  1  5  o 414.8322       4.210441      414.8322       2.977231      ?              ?         
1 1 1 0  1  6  o 1.977887       0.1558037     1.977887       0.1101699     ?              ?         
1 1 1 0  1  7  f 90.54629       1.301499      90.54629       0.9202985     ?              ?         
1 1 1 0  1  8  o 245.5202       2.849828      245.5202       2.015133      ?              ?         
1 1 1 0  1  9  o 415.1731       4.591826      415.1731       3.246911      ?              ?         
1 1 1 0  1  10 o 30.27261       0.5788607     30.27261       0.4093163     ?              ?         
1 1 1 0  1  11 o 291.6703       3.601858      291.6703       2.546898      ?              ?         
1 1 1 0  1  12 o 199.0168       2.705131      199.0168       1.912816      ?              ?         
1 1 1 0  1  13 o 320.3784       4.165963      320.3784       2.945781      ?              ?         
1 1 1 0  1  14 o 242.8408       3.345867      242.8408       2.365885      ?              ?         
1 1 1 0  1  15 o 124.2947       1.898044      124.2947       1.342120      ?              ?         
1 1 1 0  1  16 f 3.383062       0.4298998     3.383062       0.3039851     ?              ?         
1 1 1 0  1  17 f 39.28193       0.8197621     39.28193       0.5796593     ?              ?         
1 1 1 0  1  18 f 9.378819       0.5289298     9.378819       0.3740099     ?              ?         
1 1 1 0  1  19 o 134.3374       2.127167      134.3374       1.504135      ?              ?         
1 1 1 0  1  20 o 2.594846       0.5511525     2.594846       0.3897237     ?              ?         
1 1 1 0  1  21 o 1.592751       0.5747513     1.592751       0.4064105     ?              ?         
1 1 1 0  1  22 o 3.694105       0.6333661     3.694105       0.4478575     ?              ?         
1 1 1 0  1  23 o 4.820751       0.6750634     4.820751       0.4773419     ?              ?         
1 1 1 0  1  24 o 25.30525       0.8939828     25.30525       0.6321413     ?              ?         
1 1 1 0  1  25 o 4.401299       0.7729425     4.401299       0.5465529     ?              ?         
1 1 1 0  1  26 o 11.24824       0.8150453     11.24824       0.5763240     ?              ?         
1 1 1 0  1  27 o 1.796147       0.7353175     1.796147       0.5199479     ?              ?         
1 1 1 0  1  28 o 0.5183939      0.7377186     0.5183939      0.5216458     ?              ?         
1 1 1 0  1  29 o 0.7270895      0.7051793     0.7270895      0.4986371     ?              ?         
1 1 1 0  1  30 o 1.354825       0.6779251     1.354825       0.4793654     ?              ?         
1 1 1 0  1  31 o 3.106490       0.6721682     3.106490       0.4752947     ?              ?         
1 1 1 0  1  32 o 3.486643       0.6838441     3.486643       0.4835508     ?              ?         
1 1 1 0  1  33 o 3.518317       0.7238286     3.518317       0.5118241     ?              ?         
1 1 1 0  1  34 o -0.1729808     0.7725691     -0.1729808     0.5462888     ?              ?         
1 1 1 0  1  35 o 3.118707       0.8287557     3.118707       0.5860188     ?              ?         
1 1 1 0  1  36 o 0.7846065      0.8464076     0.7846065      0.5985005     ?              ?         
1 1 1 0  1  37 f 0.7593894      0.9054859     0.7593894      0.6402752     ?              ?         
1 1 1 0  2  0  o 236.0107       5.199085      236.0107       3.676308      ?              ?         
1 1 1 0  2  1  o 16.08571       0.8513896     16.08571       0.6020234     ?              ?         
1 1 1 0  2  2  o 1118.436       12.89545      1118.436       9.118458      ?              ?         
1 1 1 0  2  3  o 390.3894       4.099080      390.3894       2.898487      ?              ?         
1 1 1 0  2  4  o 852.0820       9.142099      852.0820       6.464440      ?              ?         
1 1 1 0  2  5  o 1.582762       0.1375993     1.582762       0.9729737E-01 ?              ?         
1 1 1 0  2  6  o 926.3821       9.077272      926.3821       6.418601      ?              ?         
1 1 1 0  2  7  o 30.89969       0.5448294     30.89969       0.3852526     ?              ?         
1 1 1 0  2  8  f 38.48307       0.6539788     38.48307       0.4624328     ?              ?         
1 1 1 0  2  9  o 70.08782       1.078751      70.08782       0.7627923     ?              ?         
1 1 1 0  2  10 f 164.7616       2.262184      164.7616       1.599606      ?              ?         
1 1 1 0  2  11 f 141.0024       1.999384      141.0024       1.413778      ?              ?         
1 1 1 0  2  12 o 104.4326       1.607926      104.4326       1.136975      ?              ?         
1 1 1 0  2  13 o 17.72840       0.4917955     17.72840       0.3477519     ?              ?         
1 1 1 0  2  14 o 69.52250       1.161656      69.52250       0.8214149     ?              ?         
1 1 1 0  2  15 o 0.9744783E-01  0.3815163     0.9744783E-01  0.2697728     ?              ?         
1 1 1 0  2  16 o 52.21983       0.9651002     52.21983       0.6824289     ?              ?         
1 1 1 0  2  17 f 35.42878       0.7829698     35.42878       0.5536432     ?              ?         
1 1 1 0  2  18 o 16.21378       0.5942194     16.21378       0.4201766     ?              ?         
1 1 1 0  2  19 o -0.9132066     0.5170207     -0.9132066     0.3655888     ?              ?         
1 1 1 0  2  20 o 9.801638       0.5999185     9.801638       0.4242064     ?              ?         
1 1 1 0  2  21 o 3.099687       0.5976606     3.099687       0.4226099     ?              ?         
1 1 1 0  2  22 f 77.35207       1.433270      77.35207       1.013475      ?              ?         
1 1 1 0  2  23 o -0.3494861     0.6789629     -0.3494861     0.4800993     ?              ?         
1 1 1 0  2  24 o 4.897101       0.7354476     4.897101       0.5200400     ?              ?         
1 1 1 0  2  25 o 1.919226       0.7497097     1.919226       0.5301248     ?              ?         
1 1 1 0  2  26 o 8.176960       0.7924094     8.176960       0.5603181     ?              ?         
1 1 1 0  2  27 o 0.2231549      0.7237614     0.2231549      0.5117766     ?              ?         
1 1 1 0  2  28 o 1.582563       0.7333040     1.582563       0.5185242     ?              ?         
1 1 1 0  2  29 f 1.245576       0.6947111     1.245576       0.4912349     ?              ?         
1 1 1 0  2  30 o 0.8318271      0.6901546     0.8318271      0.4880130     ?              ?         
1 1 1 0  2  31 o 504.1348       15.18233      504.1348       10.73553      ?              ?         
1 1 1 0  2  32 o 1.744930       0.7307337     1.744930       0.5167068     ?              ?         
1 1 1 0  2  33 o 3.880646       0.7544236     3.880646       0.5334580     ?              ?         
1 1 1 0  2  34 o 0.8490353      0.7770560     0.8490353      0.5494616     ?              ?         
1 1 1 0  2  35 o 1.177420       0.7861562     1.177420       0.5558963     ?              ?         
1 1 1 0  2  36 o -0.2143999     0.8380143     -0.2143999     0.5925656     ?              ?         
1 1 1 0  2  37 o -0.6125945     0.8874680     -0.6125945     0.6275347     ?              ?         
1 1 1 0  3  0  o 0.3418456      0.1249713     0.3418456      0.8836807E-01 ?              ?         
1 1 1 0  3  1  o 646.0830       7.190465      646.0830       5.084427      ?              ?         
1 1 1 0  3  2  o 10.25467       0.2288389     10.25467       0.1618135     ?              ?         
1 1 1 0  3  3  o 51.88429       0.7513329     51.88429       0.5312726     ?              ?         
1 1 1 0  3  4  o 177.1351       1.867198      177.1351       1.320308      ?              ?         
1 1 1 0  3  5  o 60.97578       0.8448496     60.97578       0.5973989     ?              ?         
1 1 1 0  3  6  o 282.4772       3.152529      282.4772       2.229174      ?              ?         
1 1 1 0  3  7  f 199.7495       2.424417      199.7495       1.714322      ?              ?         
1 1 1 0  3  8  o 1.163965       0.2210310     1.163965       0.1562925     ?              ?         
1 1 1 0  3  9  o 21.99437       0.4698134     21.99437       0.3322083     ?              ?         
1 1 1 0  3  10 f 68.72324       1.087309      68.72324       0.7688436     ?              ?         
1 1 1 0  3  11 o 0.7083515      0.2977031     0.7083515      0.2105079     ?              ?         
1 1 1 0  3  12 o 237.5888       3.187203      237.5888       2.253693      ?              ?         
1 1 1 0  3  13 o 78.22706       1.266089      78.22706       0.8952599     ?              ?         
1 1 1 0  3  14 f 80.40941       1.306091      80.40941       0.9235457     ?              ?         
1 1 1 0  3  15 o 31.20643       0.6944460     31.20643       0.4910474     ?              ?         
1 1 1 0  3  16 o 238.3858       3.430250      238.3858       2.425553      ?              ?         
1 1 1 0  3  17 o 14.59064       0.5484999     14.59064       0.3878480     ?              ?         
1 1 1 0  3  18 o 47.96356       0.9673331     47.96356       0.6840078     ?              ?         
1 1 1 0  3  19 f 106.7208       1.767794      106.7208       1.250019      ?              ?         
1 1 1 0  3  20 o 123.6099       2.012126      123.6099       1.422788      ?              ?         
1 1 1 0  3  21 o 140.8372       2.270529      140.8372       1.605506      ?              ?         
1 1 1 0  3  22 o 106.2995       1.830079      106.2995       1.294061      ?              ?         
1 1 1 0  3  23 o 35.17897       0.9684293     35.17897       0.6847829     ?              ?         
1 1 1 0  3  24 o 2.131709       0.7432724     2.131709       0.5255730     ?              ?         
1 1 1 0  3  25 o 16.70948       0.8677941     16.70948       0.6136231     ?              ?         
1 1 1 0  3  26 o 3.331870       0.7528002     3.331870       0.5323101     ?              ?         
1 1 1 0  3  27 o -0.3407768E-01 0.7316799     -0.3407768E-01 0.5173758     ?              ?         
1 1 1 0  3  28 o 4.271944       0.7384955     4.271944       0.5221952     ?              ?         
1 1 1 0  3  29 o 1.454710       0.7029796     1.454710       0.4970816     ?              ?         
1 1 1 0  3  30 o 1.346990       0.6758445     1.346990       0.4778942     ?              ?         
1 1 1 0  3  31 o -0.4243023     0.6687346     -0.4243023     0.4728667     ?              ?         
1 1 1 0  3  32 o 1.026548       0.6714478     1.026548       0.4747853     ?              ?         
1 1 1 0  3  33 o 0.7012215      0.7393209     0.7012215      0.5227789     ?              ?         
1 1 1 0  3  34 o 0.7729562E-01  0.7417765     0.7729562E-01  0.5245152     ?              ?         
1 1 1 0  3  35 o 1.307694       0.8239451     1.307694       0.5826172     ?              ?         
1 1 1 0  3  36 o 0.1939897      0.9364153     0.1939897      0.6621456     ?              ?         
1 1 1 0  3  37 o 1.146391       0.8672394     1.146391       0.6132308     ?              ?         
1 1 1 0  4  0  f 1220.141       18.72760      1220.141       13.24241      ?              ?         
1 1 1 0  4  1  o 315.1745       3.641099      315.1745       2.574646      ?              ?         
1 1 1 0  4  2  o 2.029163       0.1283014     2.029163       0.9072275E-01 ?              ?         
1 1 1 0  4  3  o 124.6637       1.441779      124.6637       1.019492      ?              ?         
1 1 1 0  4  4  o 179.3119       1.964270      179.3119       1.388948      ?              ?         
1 1 1 0  4  5  o 827.5901       7.697101      827.5901       5.442672      ?              ?         
1 1 1 0  4  6  o 154.5282       1.903609      154.5282       1.346055      ?              ?         
1 1 1 0  4  7  o 46.49736       0.7146937     46.49736       0.5053648     ?              ?         
1 1 1 0  4  8  o 210.3124       2.616897      210.3124       1.850425      ?              ?         
1 1 1 0  4  9  o 70.15582       1.107031      70.15582       0.7827889     ?              ?         
1 1 1 0  4  10 o 239.0993       3.092253      239.0993       2.186553      ?              ?         
1 1 1 0  4  11 o 26.85438       0.5808787     26.85438       0.4107433     ?              ?         
1 1 1 0  4  12 o 4.244464       0.3617928     4.244464       0.2558262     ?              ?         
1 1 1 0  4  13 o 4.094227       0.3859852     4.094227       0.2729327     ?              ?         
1 1 1 0  4  14 f 326.9497       4.298515      326.9497       3.039509      ?              ?         
1 1 1 0  4  15 o 20.50817       0.5775505     20.50817       0.4083899     ?              ?         
1 1 1 0  4  16 o 34.45453       0.7634506     34.45453       0.5398411     ?              ?         
1 1 1 0  4  17 o 35.54144       0.7956164     35.54144       0.5625858     ?              ?         
1 1 1 0  4  18 f 44.13303       0.9365832     44.13303       0.6622643     ?              ?         
1 1 1 0  4  19 f 11.90281       0.6131151     11.90281       0.4335379     ?              ?         
1 1 1 0  4  20 o 1.781033       0.5791717     1.781033       0.4095362     ?              ?         
1 1 1 0  4  21 o 2.377349       0.5923623     2.377349       0.4188634     ?              ?         
1 1 1 0  4  22 o 2.857325       0.6486480     2.857325       0.4586634     ?              ?         
1 1 1 0  4  23 o 18.97075       0.7977725     18.97075       0.5641103     ?              ?         
1 1 1 0  4  24 f 0.4222448E-01  0.7542403     0.4222448E-01  0.5333285     ?              ?         
1 1 1 0  4  25 o 5.824823       0.7752419     5.824823       0.5481788     ?              ?         
1 1 1 0  4  26 o 2.710081       0.7534289     2.710081       0.5327547     ?              ?         
1 1 1 0  4  27 o 9.913772       0.7668785     9.913772       0.5422650     ?              ?         
1 1 1 0  4  28 o 0.6348261      0.6997936     0.6348261      0.4948288     ?              ?         
1 1 1 0  4  29 o 11.70197       0.7581058     11.70197       0.5360618     ?              ?         
1 1 1 0  4  30 o -0.7449954     0.6719338     -0.7449954     0.4751289     ?              ?         
1 1 1 0  4  31 o 0.2721180      0.6876327     0.2721180      0.4862298     ?              ?         
1 1 1 0  4  32 o 1.196221       0.6890870     1.196221       0.4872581     ?              ?         
1 1 1 0  4  33 f 0.3196348      0.7224319     0.3196348      0.5108365     ?              ?         
1 1 1 0  4  34 o 0.5236863      0.7650066     0.5236863      0.5409414     ?              ?         
1 1 1 0  4  35 o 0.5438019      0.8101785     0.5438019      0.5728827     ?              ?         
1 1 1 0  4  36 o -0.3080873     0.8733436     -0.3080873     0.6175472     ?              ?         
1 1 1 0  4  37 o -0.9902474     2.015665      -0.9902474     1.425290      ?              ?         
1 1 1 0  5  0  f 2.052110       0.2471036     2.052110       0.1747286     ?              ?         
1 1 1 0  5  1  o 418.5858       4.486726      418.5858       3.172595      ?              ?         
1 1 1 0  5  2  o 687.2831       6.658036      687.2831       4.707942      ?              ?         
1 1 1 0  5  3  o 2088.206       18.15329      2088.206       12.83631      ?              ?         
1 1 1 0  5  4  o 1465.665       13.28308      1465.665       9.392559      ?              ?         
1 1 1 0  5  5  o 212.0745       2.341305      212.0745       1.655552      ?              ?         
1 1 1 0  5  6  o 1.040693       0.1899556     1.040693       0.1343189     ?              ?         
1 1 1 0  5  7  o 13.03759       0.3171867     13.03759       0.2242848     ?              ?         
1 1 1 0  5  8  o 63.73801       0.9634004     63.73801       0.6812270     ?              ?         
1 1 1 0  5  9  o 59.34805       0.9292848     59.34805       0.6571036     ?              ?         
1 1 1 0  5  10 o 31.22179       0.6387957     31.22179       0.4516968     ?              ?         
1 1 1 0  5  11 o 9.841805       0.4000467     9.841805       0.2828757     ?              ?         
1 1 1 0  5  12 o 125.0231       1.866679      125.0231       1.319942      ?              ?         
1 1 1 0  5  13 o 9.314997       0.4359482     9.314997       0.3082619     ?              ?         
1 1 1 0  5  14 o 60.58070       1.064479      60.58070       0.7527006     ?              ?         
1 1 1 0  5  15 o 29.96460       0.6964431     29.96460       0.4924596     ?              ?         
1 1 1 0  5  16 o 176.2316       2.629408      176.2316       1.859272      ?              ?         
1 1 1 0  5  17 o 1.452721       0.4555913     1.452721       0.3221517     ?              ?         
1 1 1 0  5  18 o 50.85197       1.024131      50.85197       0.7241699     ?              ?         
1 1 1 0  5  19 f 12.70630       0.6110070     12.70630       0.4320472     ?              ?         
1 1 1 0  5  20 o 3.645344       0.5876511     3.645344       0.4155321     ?              ?         
1 1 1 0  5  21 o 18.81609       0.7325578     18.81609       0.5179966     ?              ?         
1 1 1 0  5  22 o 23.16586       0.8218940     23.16586       0.5811669     ?              ?         
1 1 1 0  5  23 o 7.287202       0.7505789     7.287202       0.5307395     ?              ?         
1 1 1 0  5  24 o 35.12450       1.022035      35.12450       0.7226881     ?              ?         
1 1 1 0  5  25 o 0.4229578      0.7411566     0.4229578      0.5240768     ?              ?         
1 1 1 0  5  26 o 1688.731       49.66006      1688.731       35.11496      ?              ?         
1 1 1 0  5  27 o 2.982615       0.7318586     2.982615       0.5175022     ?              ?         
1 1 1 0  5  28 o 3.792833       0.7166644     3.792833       0.5067583     ?              ?         
1 1 1 0  5  29 f -0.4920474     0.6750131     -0.4920474     0.4773063     ?              ?         
1 1 1 0  5  30 o -0.3593754     0.6624354     -0.3593754     0.4684125     ?              ?         
1 1 1 0  5  31 o 2.246414       0.6747196     2.246414       0.4770988     ?              ?         
1 1 1 0  5  32 o 0.1507458      0.6972184     0.1507458      0.4930079     ?              ?         
1 1 1 0  5  33 o -0.1042199     0.7207865     -0.1042199     0.5096730     ?              ?         
1 1 1 0  5  34 o -0.9869194E-01 0.7776296     -0.9869194E-01 0.5498672     ?              ?         
1 1 1 0  5  35 o -0.1026548     0.8065074     -0.1026548     0.5702869     ?              ?         
1 1 1 0  5  36 o -1.143879      0.8496812     -1.143879      0.6008154     ?              ?         
1 1 1 0  6  0  o 1010.000       14.26777      1010.000       10.08884      ?              ?         
1 1 1 0  6  1  o 26.96512       0.5024576     26.96512       0.3552912     ?              ?         
1 1 1 0  6  2  o 245.2900       2.809121      245.2900       1.986348      ?              ?         
1 1 1 0  6  3  o 14.45610       0.3131524     14.45610       0.2214322     ?              ?         
1 1 1 0  6  4  o 7.622115       0.2445100     7.622115       0.1728947     ?              ?         
1 1 1 0  6  5  o 363.3922       3.779353      363.3922       2.672406      ?              ?         
1 1 1 0  6  6  o 23.79127       0.4385631     23.79127       0.3101110     ?              ?         
1 1 1 0  6  7  o 17.96726       0.3873333     17.96726       0.2738860     ?              ?         
1 1 1 0  6  8  o 39.61116       0.6421118     39.61116       0.4540416     ?              ?         
1 1 1 0  6  9  o 353.3116       4.047318      353.3116       2.861886      ?              ?         
1 1 1 0  6  10 o 313.4533       3.713225      313.4533       2.625647      ?              ?         
1 1 1 0  6  11 o 4.618868       0.3408482     4.618868       0.2410161     ?              ?         
1 1 1 0  6  12 f 33.98676       0.7120681     33.98676       0.5035082     ?              ?         
1 1 1 0  6  13 f 30.20130       0.6838582     30.20130       0.4835608     ?              ?         
1 1 1 0  6  14 o 73.32374       1.253217      73.32374       0.8861584     ?              ?         
1 1 1 0  6  15 o 24.22205       0.6460586     24.22205       0.4568324     ?              ?         
1 1 1 0  6  16 o 152.8502       2.342018      152.8502       1.656057      ?              ?         
1 1 1 0  6  17 o 3.193515       0.4966567     3.193515       0.3511893     ?              ?         
1 1 1 0  6  18 o 11.23503       0.5977775     11.23503       0.4226925     ?              ?         
1 1 1 0  6  19 o 5.203470       0.5706764     5.203470       0.4035291     ?              ?         
1 1 1 0  6  20 f 14.88453       0.6869705     14.88453       0.4857615     ?              ?         
1 1 1 0  6  21 o 77.49764       1.436788      77.49764       1.015962      ?              ?         
1 1 1 0  6  22 o 21.22183       0.8149630     21.22183       0.5762659     ?              ?         
1 1 1 0  6  23 o 4.231728       0.7529594     4.231728       0.5324227     ?              ?         
1 1 1 0  6  24 o 9.835976       0.7848939     9.835976       0.5550038     ?              ?         
1 1 1 0  6  25 o 11.57366       0.8044932     11.57366       0.5688626     ?              ?         
1 1 1 0  6  26 o 38.82412       1.060068      38.82412       0.7495811     ?              ?         
1 1 1 0  6  27 o 1.806847       0.7487185     1.806847       0.5294240     ?              ?         
1 1 1 0  6  28 f 0.1751270      0.6798210     0.1751270      0.4807060     ?              ?         
1 1 1 0  6  29 o 0.2514615      0.6737638     0.2514615      0.4764229     ?              ?         
1 1 1 0  6  30 f -0.3193673     0.6894593     -0.3193673     0.4875213     ?              ?         
1 1 1 0  6  31 o 0.5983464      0.6889184     0.5983464      0.4871389     ?              ?         
1 1 1 0  6  32 o 0.8598430      0.6935425     0.8598430      0.4904086     ?              ?         
1 1 1 0  6  33 o 1.054421       0.7300445     1.054421       0.5162194     ?              ?         
1 1 1 0  6  34 o 0.6476442      0.7763548     0.6476442      0.5489658     ?              ?         
1 1 1 0  6  35 o -2.276178      0.8257095     -2.276178      0.5838648     ?              ?         
1 1 1 0  6  36 o -0.1664375     0.8611395     -0.1664375     0.6089176     ?              ?         
1 1 1 0  7  0  o 0.6220557      0.3487786     0.6220557      0.2466237     ?              ?         
1 1 1 0  7  1  o 57.39352       0.9229655     57.39352       0.6526352     ?              ?         
1 1 1 0  7  2  o 343.8784       3.808373      343.8784       2.692926      ?              ?         
1 1 1 0  7  3  o 172.3952       2.166826      172.3952       1.532177      ?              ?         
1 1 1 0  7  4  o 27.42745       0.4862724     27.42745       0.3438465     ?              ?         
1 1 1 0  7  5  o 495.1588       5.041851      495.1588       3.565127      ?              ?         
1 1 1 0  7  6  o 12.95638       0.3487491     12.95638       0.2466028     ?              ?         
1 1 1 0  7  7  f 130.4271       1.700154      130.4271       1.202190      ?              ?         
1 1 1 0  7  8  o 67.03861       0.9816705     67.03861       0.6941459     ?              ?         
1 1 1 0  7  9  o 0.4526499      0.2784778     0.4526499      0.1969135     ?              ?         
1 1 1 0  7  10 o 144.7414       2.011069      144.7414       1.422041      ?              ?         
1 1 1 0  7  11 o 231.8649       2.989010      231.8649       2.113549      ?              ?         
1 1 1 0  7  12 o 8.822727       0.4139567     8.822727       0.2927116     ?              ?         
1 1 1 0  7  13 o 1.404516       0.3714332     1.404516       0.2626429     ?              ?         
1 1 1 0  7  14 o 0.4150707      0.3837108     0.4150707      0.2713245     ?              ?         
1 1 1 0  7  15 o 115.6421       1.965539      115.6421       1.389846      ?              ?         
1 1 1 0  7  16 o -0.3470085     0.4711300     -0.3470085     0.3331392     ?              ?         
1 1 1 0  7  17 o 194.3209       2.909586      194.3209       2.057388      ?              ?         
1 1 1 0  7  18 o 0.3267545E-02  0.5355813     0.3267545E-02  0.3787132     ?              ?         
1 1 1 0  7  19 o 70.40768       1.315380      70.40768       0.9301143     ?              ?         
1 1 1 0  7  20 f 83.83891       1.510822      83.83891       1.068313      ?              ?         
1 1 1 0  7  21 o 0.2814428      0.6478313     0.2814428      0.4580859     ?              ?         
1 1 1 0  7  22 o 6.953803       0.7212736     6.953803       0.5100175     ?              ?         
1 1 1 0  7  23 o 3.607725       0.7204691     3.607725       0.5094486     ?              ?         
1 1 1 0  7  24 o 3.563216       0.7655365     3.563216       0.5413161     ?              ?         
1 1 1 0  7  25 o 3.227287       0.7623128     3.227287       0.5390365     ?              ?         
1 1 1 0  7  26 o 32.65360       0.9905965     32.65360       0.7004575     ?              ?         
1 1 1 0  7  27 o 5.404955       0.7231652     5.404955       0.5113550     ?              ?         
1 1 1 0  7  28 f 9.066113       0.7287600     9.066113       0.5153111     ?              ?         
1 1 1 0  7  29 o 0.3311761      0.6776838     0.3311761      0.4791948     ?              ?         
1 1 1 0  7  30 f 0.5466231      0.6732962     0.5466231      0.4760923     ?              ?         
1 1 1 0  7  31 o 0.1595057      0.6763479     0.1595057      0.4782501     ?              ?         
1 1 1 0  7  32 o 0.6014071      0.7205107     0.6014071      0.5094780     ?              ?         
1 1 1 0  7  33 o 0.1118355      0.7354102     0.1118355      0.5200136     ?              ?         
1 1 1 0  7  34 o 3.028259       0.7989284     3.028259       0.5649277     ?              ?         
1 1 1 0  7  35 o -1.378472      0.8136707     -1.378472      0.5753521     ?              ?         
1 1 1 0  7  36 o 0.4032040      0.8461469     0.4032040      0.5983162     ?              ?         
1 1 1 0  8  0  o 351.6516       6.029548      351.6516       4.263534      ?              ?         
1 1 1 0  8  1  f 162.8206       2.256281      162.8206       1.595432      ?              ?         
1 1 1 0  8  2  o 26.34505       0.5200868     26.34505       0.3677569     ?              ?         
1 1 1 0  8  3  o 19.24999       0.4416752     19.24999       0.3123115     ?              ?         
1 1 1 0  8  4  o 383.5890       4.141864      383.5890       2.928740      ?              ?         
1 1 1 0  8  5  o 1.902919       0.2755707     1.902919       0.1948579     ?              ?         
1 1 1 0  8  6  o 154.8953       1.990001      154.8953       1.407143      ?              ?         
1 1 1 0  8  7  f 0.2352394      0.2825958     0.2352394      0.1998254     ?              ?         
1 1 1 0  8  8  o 1.860237       0.3047547     1.860237       0.2154941     ?              ?         
1 1 1 0  8  9  o 1.476369       0.3210632     1.476369       0.2270260     ?              ?         
1 1 1 0  8  10 o 0.3403891      0.3286974     0.3403891      0.2324242     ?              ?         
1 1 1 0  8  11 o 0.6341951      0.3524716     0.6341951      0.2492351     ?              ?         
1 1 1 0  8  12 o 94.18938       1.438562      94.18938       1.017217      ?              ?         
1 1 1 0  8  13 o 9.567559       0.4544675     9.567559       0.3213571     ?              ?         
1 1 1 0  8  14 o 26.05321       0.6411829     26.05321       0.4533848     ?              ?         
1 1 1 0  8  15 o 14.46178       0.5335615     14.46178       0.3772849     ?              ?         
1 1 1 0  8  16 o 167.0768       2.422206      167.0768       1.712758      ?              ?         
1 1 1 0  8  17 f 45.69529       0.9161579     45.69529       0.6478215     ?              ?         
1 1 1 0  8  18 o 25.68626       0.7712699     25.68626       0.5453702     ?              ?         
1 1 1 0  8  19 o 3.384130       0.5965750     3.384130       0.4218422     ?              ?         
1 1 1 0  8  20 o 61.57954       1.247827      61.57954       0.8823469     ?              ?         
1 1 1 0  8  21 o 0.1417068      0.6643429     0.1417068      0.4697613     ?              ?         
1 1 1 0  8  22 o 8.986530       0.7676774     8.986530       0.5428299     ?              ?         
1 1 1 0  8  23 o 50.78516       1.205121      50.78516       0.8521492     ?              ?         
1 1 1 0  8  24 o 4.680860       0.7598185     4.680860       0.5372728     ?              ?         
1 1 1 0  8  25 o 31.48543       0.9736869     31.48543       0.6885006     ?              ?         
1 1 1 0  8  26 f -0.6562459     0.6756291     -0.6562459     0.4777420     ?              ?         
1 1 1 0  8  27 o 2.749495       0.7179555     2.749495       0.5076712     ?              ?         
1 1 1 0  8  28 o 14.96969       0.7940728     14.96969       0.5614943     ?              ?         
1 1 1 0  8  29 f -0.3011374     0.6565116     -0.3011374     0.4642238     ?              ?         
1 1 1 0  8  30 o 3.434319       0.6801950     3.434319       0.4809705     ?              ?         
1 1 1 0  8  31 o 630.7708       18.95543      630.7708       13.40351      ?              ?         
1 1 1 0  8  32 o 1.037238       0.7140263     1.037238       0.5048929     ?              ?         
1 1 1 0  8  33 o 0.4152066      0.7904859     0.4152066      0.5589579     ?              ?         
1 1 1 0  8  34 o 0.8533797      0.7953119     0.8533797      0.5623704     ?              ?         
1 1 1 0  8  35 o -0.9238412     0.8450335     -0.9238412     0.5975289     ?              ?         
1 1 1 0  8  36 o -1.513640      0.9818384     -1.513640      0.6942646     ?              ?         
1 1 1 0  9  0  o 0.3858933      0.4801039     0.3858933      0.3394848     ?              ?         
1 1 1 0  9  1  o 56.64593       0.9671232     56.64593       0.6838593     ?              ?         
1 1 1 0  9  2  o 15.40611       0.4615320     15.40611       0.3263524     ?              ?         
1 1 1 0  9  3  o 64.18565       1.013035      64.18565       0.7163238     ?              ?         
1 1 1 0  9  4  o 96.13477       1.414883      96.13477       1.000474      ?              ?         
1 1 1 0  9  5  o 2.873317       0.3119444     2.873317       0.2205780     ?              ?         
1 1 1 0  9  6  o 20.02379       0.4684125     20.02379       0.3312177     ?              ?         
1 1 1 0  9  7  o 11.06891       0.3944020     11.06891       0.2788843     ?              ?         
1 1 1 0  9  8  o 27.63944       0.5582384     27.63944       0.3947341     ?              ?         
1 1 1 0  9  9  f 19.46445       0.4871067     19.46445       0.3444364     ?              ?         
1 1 1 0  9  10 o 270.7451       3.302697      270.7451       2.335359      ?              ?         
1 1 1 0  9  11 f 66.71072       1.035362      66.71072       0.7321118     ?              ?         
1 1 1 0  9  12 o 132.3803       1.944074      132.3803       1.374668      ?              ?         
1 1 1 0  9  13 o 0.2629512      0.4048008     0.2629512      0.2862374     ?              ?         
1 1 1 0  9  14 o 83.76894       1.345689      83.76894       0.9515460     ?              ?         
1 1 1 0  9  15 o 32.65971       0.7550381     32.65971       0.5338926     ?              ?         
1 1 1 0  9  16 o 233.0500       3.260367      233.0500       2.305428      ?              ?         
1 1 1 0  9  17 o 95.91026       1.549878      95.91026       1.095929      ?              ?         
1 1 1 0  9  18 o 1.385012       0.5311178     1.385012       0.3755570     ?              ?         
1 1 1 0  9  19 o 0.4513153      0.5615175     0.4513153      0.3970528     ?              ?         
1 1 1 0  9  20 o 1.297121       0.5885375     1.297121       0.4161589     ?              ?         
1 1 1 0  9  21 o 3.951259       0.7012207     3.951259       0.4958379     ?              ?         
1 1 1 0  9  22 o 0.9473205      0.7196913     0.9473205      0.5088986     ?              ?         
1 1 1 0  9  23 o 1.102641       0.7463319     1.102641       0.5277364     ?              ?         
1 1 1 0  9  24 o 1.814610       0.7540303     1.814610       0.5331800     ?              ?         
1 1 1 0  9  25 o 5.698163       0.7161952     5.698163       0.5064265     ?              ?         
1 1 1 0  9  26 o 0.7903596      0.6737600     0.7903596      0.4764203     ?              ?         
1 1 1 0  9  27 o 4.992926       0.6870073     4.992926       0.4857875     ?              ?         
1 1 1 0  9  28 o 0.2894495      0.6665784     0.2894495      0.4713421     ?              ?         
1 1 1 0  9  29 f 1.730629       0.6696888     1.730629       0.4735415     ?              ?         
1 1 1 0  9  30 o -0.3277458     0.6669010     -0.3277458     0.4715702     ?              ?         
1 1 1 0  9  31 o 1.773407       0.6820001     1.773407       0.4822469     ?              ?         
1 1 1 0  9  32 f 0.3147632      0.7161432     0.3147632      0.5063897     ?              ?         
1 1 1 0  9  33 f 1.446272       0.7538645     1.446272       0.5330627     ?              ?         
1 1 1 0  9  34 o -1.012383      0.8042492     -1.012383      0.5686901     ?              ?         
1 1 1 0  9  35 f -0.7622603     0.8316192     -0.7622603     0.5880436     ?              ?         
1 1 1 0  10 0  o 515.7592       8.794358      515.7592       6.218550      ?              ?         
1 1 1 0  10 1  o 10.04321       0.4373988     10.04321       0.3092877     ?              ?         
1 1 1 0  10 2  o 409.0288       5.078506      409.0288       3.591046      ?              ?         
1 1 1 0  10 3  o 63.74887       1.027135      63.74887       0.7262939     ?              ?         
1 1 1 0  10 4  o 110.1959       1.597292      110.1959       1.129456      ?              ?         
1 1 1 0  10 5  o 144.5822       2.032090      144.5822       1.436904      ?              ?         
1 1 1 0  10 6  o 0.6424735      0.3403166     0.6424735      0.2406401     ?              ?         
1 1 1 0  10 7  o 4.808176       0.3653916     4.808176       0.2583708     ?              ?         
1 1 1 0  10 8  o 117.9222       1.627225      117.9222       1.150622      ?              ?         
1 1 1 0  10 9  o 30.68294       0.6177194     30.68294       0.4367936     ?              ?         
1 1 1 0  10 10 o 80.43998       1.208628      80.43998       0.8546292     ?              ?         
1 1 1 0  10 11 o 33.24968       0.6657200     33.24968       0.4707351     ?              ?         
1 1 1 0  10 12 o 10.02056       0.4580567     10.02056       0.3238950     ?              ?         
1 1 1 0  10 13 o 49.25109       0.9311520     49.25109       0.6584239     ?              ?         
1 1 1 0  10 14 f 25.68171       0.6749598     25.68171       0.4772687     ?              ?         
1 1 1 0  10 15 o 1.629555       0.4934179     1.629555       0.3488991     ?              ?         
1 1 1 0  10 16 o 60.15608       1.110038      60.15608       0.7849151     ?              ?         
1 1 1 0  10 17 o 1.199986       0.5230539     1.199986       0.3698550     ?              ?         
1 1 1 0  10 18 o 1.067041       0.6157332     1.067041       0.4353891     ?              ?         
1 1 1 0  10 19 o 1.849548       0.5884317     1.849548       0.4160840     ?              ?         
1 1 1 0  10 20 o 26.97821       0.8462046     26.97821       0.5983570     ?              ?         
1 1 1 0  10 21 o 1.821437       0.6533746     1.821437       0.4620056     ?              ?         
1 1 1 0  10 22 o 0.7919700      0.6745235     0.7919700      0.4769601     ?              ?         
1 1 1 0  10 23 f 0.7651637      0.6700771     0.7651637      0.4738161     ?              ?         
1 1 1 0  10 24 o 1.336890       0.6669495     1.336890       0.4716045     ?              ?         
1 1 1 0  10 25 f 0.9717836      0.6908613     0.9717836      0.4885128     ?              ?         
1 1 1 0  10 26 f 3.235319       0.7270289     3.235319       0.5140871     ?              ?         
1 1 1 0  10 27 o -0.5194932     0.6707884     -0.5194932     0.4743190     ?              ?         
1 1 1 0  10 28 o 1.540763       0.6719850     1.540763       0.4751651     ?              ?         
1 1 1 0  10 29 o 1.375761       0.6639594     1.375761       0.4694902     ?              ?         
1 1 1 0  10 30 o 0.2827135      0.6780159     0.2827135      0.4794297     ?              ?         
1 1 1 0  10 31 o -0.2498906     0.7019081     -0.2498906     0.4963239     ?              ?         
1 1 1 0  10 32 o 1.798290       0.7644129     1.798290       0.5405216     ?              ?         
1 1 1 0  10 33 o -0.2872909     0.7904686     -0.2872909     0.5589457     ?              ?         
1 1 1 0  10 34 o 0.1637076      0.8205077     0.1637076      0.5801865     ?              ?         
1 1 1 0  10 35 f 1.050017       0.8667363     1.050017       0.6128751     ?              ?         
1 1 1 0  11 0  o 0.8517148      0.6012570     0.8517148      0.4251529     ?              ?         
1 1 1 0  11 1  f 19.33000       0.5629122     19.33000       0.3980390     ?              ?         
1 1 1 0  11 2  o 5.247508       0.4414317     5.247508       0.3121393     ?              ?         
1 1 1 0  11 3  o 101.1299       1.508803      101.1299       1.066885      ?              ?         
1 1 1 0  11 4  o 38.98722       0.7518130     38.98722       0.5316120     ?              ?         
1 1 1 0  11 5  o 18.46102       0.5204155     18.46102       0.3679893     ?              ?         
1 1 1 0  11 6  o 1.406409       0.3540473     1.406409       0.2503493     ?              ?         
1 1 1 0  11 7  o 1.595961       0.3761756     1.595961       0.2659963     ?              ?         
1 1 1 0  11 8  f 22.30574       0.5532686     22.30574       0.3912200     ?              ?         
1 1 1 0  11 9  o 180.1781       2.395963      180.1781       1.694201      ?              ?         
1 1 1 0  11 10 o 35.11005       0.7052093     35.11005       0.4986583     ?              ?         
1 1 1 0  11 11 o 136.4327       1.895321      136.4327       1.340194      ?              ?         
1 1 1 0  11 12 f 18.21195       0.5488850     18.21195       0.3881203     ?              ?         
1 1 1 0  11 13 o 2.473138       0.4534870     2.473138       0.3206638     ?              ?         
1 1 1 0  11 14 o 34.26222       0.8027504     34.26222       0.5676302     ?              ?         
1 1 1 0  11 15 o 108.7466       1.709852      108.7466       1.209048      ?              ?         
1 1 1 0  11 16 o 0.2254935E-03  0.5244164     0.2254935E-03  0.3708184     ?              ?         
1 1 1 0  11 17 o 31.85857       0.8146267     31.85857       0.5760280     ?              ?         
1 1 1 0  11 18 o 19.19856       0.7168305     19.19856       0.5068757     ?              ?         
1 1 1 0  11 19 o 20.75425       0.7712930     20.75425       0.5453865     ?              ?         
1 1 1 0  11 20 o 0.6014248      0.6721392     0.6014248      0.4752742     ?              ?         
1 1 1 0  11 21 o 6.508467       0.6993302     6.508467       0.4945011     ?              ?         
1 1 1 0  11 22 o 0.8953411      0.6738132     0.8953411      0.4764579     ?              ?         
1 1 1 0  11 23 o 19.24675       0.7935475     19.24675       0.5611228     ?              ?         
1 1 1 0  11 24 o -0.3653205     0.6365001     -0.3653205     0.4500735     ?              ?         
1 1 1 0  11 25 o 12.84649       0.7374761     12.84649       0.5214743     ?              ?         
1 1 1 0  11 26 o 1.818855       0.6302672     1.818855       0.4456662     ?              ?         
1 1 1 0  11 27 o 1.415569       0.6479838     1.415569       0.4581938     ?              ?         
1 1 1 0  11 28 o 2.089172       0.6299840     2.089172       0.4454659     ?              ?         
1 1 1 0  11 29 o 2.588860       0.6132064     2.588860       0.4336024     ?              ?         
1 1 1 0  11 30 o 0.8565465      0.6950483     0.8565465      0.4914733     ?              ?         
1 1 1 0  11 31 o 0.6679043      0.7406875     0.6679043      0.5237451     ?              ?         
1 1 1 0  11 32 o 1.478518       0.7860516     1.478518       0.5558224     ?              ?         
1 1 1 0  11 33 o 1.324105       0.8225555     1.324105       0.5816346     ?              ?         
1 1 1 0  11 34 o 0.7599860      0.8383942     0.7599860      0.5928342     ?              ?         
1 1 1 0  12 0  o 1055.846       16.51495      1055.846       11.67783      ?              ?         
1 1 1 0  12 1  o 215.1419       3.138808      215.1419       2.219473      ?              ?         
1 1 1 0  12 2  o 191.7390       2.804436      191.7390       1.983036      ?              ?         
1 1 1 0  12 3  o 274.2577       3.614912      274.2577       2.556129      ?              ?         
1 1 1 0  12 4  o 14.41909       0.5080715     14.41909       0.3592608     ?              ?         
1 1 1 0  12 5  o 212.8844       2.896220      212.8844       2.047937      ?              ?         
1 1 1 0  12 6  f 47.15442       0.8847453     47.15442       0.6256094     ?              ?         
1 1 1 0  12 7  o 1073.004       10.94073      1073.004       7.736264      ?              ?         
1 1 1 0  12 8  f 190.9034       2.543351      190.9034       1.798421      ?              ?         
1 1 1 0  12 9  o 1396.369       14.17555      1396.369       10.02363      ?              ?         
1 1 1 0  12 10 o 214.2252       2.799593      214.2252       1.979611      ?              ?         
1 1 1 0  12 11 o 188.8856       2.538211      188.8856       1.794786      ?              ?         
1 1 1 0  12 12 o 317.9582       4.005495      317.9582       2.832313      ?              ?         
1 1 1 0  12 13 o 1.473810       0.4756250     1.473810       0.3363177     ?              ?         
1 1 1 0  12 14 o -0.1269091     0.4824369     -0.1269091     0.3411344     ?              ?         
1 1 1 0  12 15 o 2.012359       0.5386382     2.012359       0.3808748     ?              ?         
1 1 1 0  12 16 f 45.08344       0.9747122     45.08344       0.6892256     ?              ?         
1 1 1 0  12 17 o 8.384270       0.6530696     8.384270       0.4617900     ?              ?         
1 1 1 0  12 18 o 46.06413       1.051824      46.06413       0.7437516     ?              ?         
1 1 1 0  12 19 o 3.044140       0.6506513     3.044140       0.4600799     ?              ?         
1 1 1 0  12 20 o 26.41057       0.8741282     26.41057       0.6181020     ?              ?         
1 1 1 0  12 21 o 4.172765       0.7030129     4.172765       0.4971052     ?              ?         
1 1 1 0  12 22 o 13.27054       0.7617282     13.27054       0.5386232     ?              ?         
1 1 1 0  12 23 f 0.4033978      0.6528298     0.4033978      0.4616204     ?              ?         
1 1 1 0  12 24 o -0.6829173     0.6612045     -0.6829173     0.4675421     ?              ?         
1 1 1 0  12 25 o 5.589658       0.6492078     5.589658       0.4590592     ?              ?         
1 1 1 0  12 26 o 0.2079129      0.6167058     0.2079129      0.4360769     ?              ?         
1 1 1 0  12 27 o 5.921868       0.6602809     5.921868       0.4668891     ?              ?         
1 1 1 0  12 28 o 2.344633       0.6192600     2.344633       0.4378829     ?              ?         
1 1 1 0  12 29 o 3.491273       0.6475601     3.491273       0.4578941     ?              ?         
1 1 1 0  12 30 o 4.381870       0.6955842     4.381870       0.4918523     ?              ?         
1 1 1 0  12 31 o 2.424386       0.7009153     2.424386       0.4956219     ?              ?         
1 1 1 0  12 32 o 0.3619637      0.7230132     0.3619637      0.5112476     ?              ?         
1 1 1 0  12 33 o 2.191038       0.7876022     2.191038       0.5569189     ?              ?         
1 1 1 0  12 34 o 0.2268015      0.7872261     0.2268015      0.5566530     ?              ?         
1 1 1 0  13 0  o 3.981504       0.6993068     3.981504       0.4944846     ?              ?         
1 1 1 0  13 1  o 0.6099741      0.4957838     0.6099741      0.3505721     ?              ?         
1 1 1 0  13 2  o 48.14930       0.9690434     48.14930       0.6852171     ?              ?         
1 1 1 0  13 3  o 21.67761       0.6216741     21.67761       0.4395899     ?              ?         
1 1 1 0  13 4  f 127.9786       1.898777      127.9786       1.342638      ?              ?         
1 1 1 0  13 5  f 54.46241       0.9889609     54.46241       0.6993009     ?              ?         
1 1 1 0  13 6  o 85.52656       1.377989      85.52656       0.9743854     ?              ?         
1 1 1 0  13 7  o 38.22189       0.8148825     38.22189       0.5762089     ?              ?         
1 1 1 0  13 8  o 22.70296       0.6118219     22.70296       0.4326234     ?              ?         
1 1 1 0  13 9  o 27.05644       0.6466122     27.05644       0.4572239     ?              ?         
1 1 1 0  13 10 o -0.1875706     0.4786610     -0.1875706     0.3384644     ?              ?         
1 1 1 0  13 11 o 0.3750820      0.4755664     0.3750820      0.3362762     ?              ?         
1 1 1 0  13 12 o 0.8694868      0.4822109     0.8694868      0.3409746     ?              ?         
1 1 1 0  13 13 o 47.15451       0.9247403     47.15451       0.6538901     ?              ?         
1 1 1 0  13 14 o 9.109253       0.5696808     9.109253       0.4028252     ?              ?         
1 1 1 0  13 15 o 3.589141       0.5579230     3.589141       0.3945112     ?              ?         
1 1 1 0  13 16 o 7.300559       0.6284051     7.300559       0.4443495     ?              ?         
1 1 1 0  13 17 o 23.10464       0.8146724     23.10464       0.5760604     ?              ?         
1 1 1 0  13 18 o 1.687212       0.6880667     1.687212       0.4865367     ?              ?         
1 1 1 0  13 19 o 4.095500       0.6705592     4.095500       0.4741569     ?              ?         
1 1 1 0  13 20 o 0.7060332      0.6732891     0.7060332      0.4760873     ?              ?         
1 1 1 0  13 21 o 1.183153       0.6655383     1.183153       0.4706066     ?              ?         
1 1 1 0  13 22 o 8.413092       0.7131524     8.413092       0.5042749     ?              ?         
1 1 1 0  13 23 o 13.02619       0.7335863     13.02619       0.5187238     ?              ?         
1 1 1 0  13 24 o 3.116317       0.6513074     3.116317       0.4605439     ?              ?         
1 1 1 0  13 25 o 1.516930       0.6407598     1.516930       0.4530856     ?              ?         
1 1 1 0  13 26 o 0.7721304      0.6152866     0.7721304      0.4350734     ?              ?         
1 1 1 0  13 27 o -0.6194853E-01 0.6154608     -0.6194853E-01 0.4351965     ?              ?         
1 1 1 0  13 28 o 1.267437       0.6229042     1.267437       0.4404598     ?              ?         
1 1 1 0  13 29 o 0.8031340      0.6324428     0.8031340      0.4472046     ?              ?         
1 1 1 0  13 30 o 1.001013       0.7220211     1.001013       0.5105460     ?              ?         
1 1 1 0  13 31 o 1.337645       0.7427749     1.337645       0.5252212     ?              ?         
1 1 1 0  13 32 o -0.5646206     0.7709105     -0.5646206     0.5451161     ?              ?         
1 1 1 0  13 33 o -0.9234968     0.8006219     -0.9234968     0.5661252     ?              ?         
1 1 1 0  14 0  f 421.3941       8.082125      421.3941       5.714925      ?              ?         
1 1 1 0  14 1  o 445.5081       6.803490      445.5081       4.810794      ?              ?         
1 1 1 0  14 2  o 345.0257       4.843179      345.0257       3.424645      ?              ?         
1 1 1 0  14 3  o 24.09696       0.7770087     24.09696       0.5494281     ?              ?         
1 1 1 0  14 4  o 6.389913       0.5229832     6.389913       0.3698049     ?              ?         
1 1 1 0  14 5  o 54.28415       1.013757      54.28415       0.7168348     ?              ?         
1 1 1 0  14 6  o 0.8946609      0.5102879     0.8946609      0.3608280     ?              ?         
1 1 1 0  14 7  o 45.21900       0.9282544     45.21900       0.6563749     ?              ?         
1 1 1 0  14 8  o 61.49063       1.131992      61.49063       0.8004391     ?              ?         
1 1 1 0  14 9  o 15.91186       0.5942888     15.91186       0.4202256     ?              ?         
1 1 1 0  14 10 f 8.831241       0.5547912     8.831241       0.3922966     ?              ?         
1 1 1 0  14 11 o 6.373705       0.5484780     6.373705       0.3878325     ?              ?         
1 1 1 0  14 12 o 84.49009       1.356513      84.49009       0.9591995     ?              ?         
1 1 1 0  14 13 o 2.157743       0.5400516     2.157743       0.3818742     ?              ?         
1 1 1 0  14 14 o 2.423311       0.5641500     2.423311       0.3989143     ?              ?         
1 1 1 0  14 15 o 39.32634       0.8910701     39.32634       0.6300817     ?              ?         
1 1 1 0  14 16 o 80.05561       1.357239      80.05561       0.9597126     ?              ?         
1 1 1 0  14 17 o 0.7162372      0.6792393     0.7162372      0.4802947     ?              ?         
1 1 1 0  14 18 o 12.76052       0.7529648     12.76052       0.5324265     ?              ?         
1 1 1 0  14 19 f 2.504925       0.7107098     2.504925       0.5025477     ?              ?         
1 1 1 0  14 20 o 8.609282       0.7069454     8.609282       0.4998859     ?              ?         
1 1 1 0  14 21 o 1.521423       0.6823893     1.521423       0.4825221     ?              ?         
1 1 1 0  14 22 o 5.411001       0.6655197     5.411001       0.4705935     ?              ?         
1 1 1 0  14 23 o 8.401502       0.6829265     8.401502       0.4829019     ?              ?         
1 1 1 0  14 24 o -0.1933207     0.6239293     -0.1933207     0.4411846     ?              ?         
1 1 1 0  14 25 o 0.1550758      0.6129795     0.1550758      0.4334419     ?              ?         
1 1 1 0  14 26 o 1.647701       0.6179796     1.647701       0.4369776     ?              ?         
1 1 1 0  14 27 o 0.4183050      0.6053416     0.4183050      0.4280412     ?              ?         
1 1 1 0  14 28 o 0.2999316      0.6562452     0.2999316      0.4640355     ?              ?         
1 1 1 0  14 29 o 0.1281122      0.6721456     0.1281122      0.4752787     ?              ?         
1 1 1 0  14 30 o 0.9255245      0.6995353     0.9255245      0.4946461     ?              ?         
1 1 1 0  14 31 f -0.3808016     0.7554356     -0.3808016     0.5341736     ?              ?         
1 1 1 0  14 32 o -0.2807718     0.7949483     -0.2807718     0.5621133     ?              ?         
1 1 1 0  14 33 o 1.806139       0.7954059     1.806139       0.5624369     ?              ?         
1 1 1 0  15 0  o 0.6107165E-01  0.8083071     0.6107165E-01  0.5715594     ?              ?         
1 1 1 0  15 1  o 29.60218       0.8251088     29.60218       0.5834400     ?              ?         
1 1 1 0  15 2  o 125.2829       2.046658      125.2829       1.447205      ?              ?         
1 1 1 0  15 3  o 115.6726       1.798365      115.6726       1.271636      ?              ?         
1 1 1 0  15 4  o 134.8802       2.048185      134.8802       1.448286      ?              ?         
1 1 1 0  15 5  o 121.2711       1.866718      121.2711       1.319969      ?              ?         
1 1 1 0  15 6  o 36.12358       0.8454176     36.12358       0.5978006     ?              ?         
1 1 1 0  15 7  o 45.23137       0.9626665     45.23137       0.6807080     ?              ?         
1 1 1 0  15 8  o 20.84068       0.7311276     20.84068       0.5169852     ?              ?         
1 1 1 0  15 9  f 14.21537       0.6182658     14.21537       0.4371800     ?              ?         
1 1 1 0  15 10 o 8.247096       0.5775697     8.247096       0.4084035     ?              ?         
1 1 1 0  15 11 o 27.17976       0.7494690     27.17976       0.5299546     ?              ?         
1 1 1 0  15 12 o 41.10614       0.8995244     41.10614       0.6360598     ?              ?         
1 1 1 0  15 13 o 3.443232       0.5825328     3.443232       0.4119129     ?              ?         
1 1 1 0  15 14 o 24.90145       0.7670434     24.90145       0.5423816     ?              ?         
1 1 1 0  15 15 o 18.07666       0.7308702     18.07666       0.5168033     ?              ?         
1 1 1 0  15 16 o 28.21399       0.8523400     28.21399       0.6026954     ?              ?         
1 1 1 0  15 17 o 9.677710       0.7381232     9.677710       0.5219319     ?              ?         
1 1 1 0  15 18 f 9.803953       0.7627979     9.803953       0.5393795     ?              ?         
1 1 1 0  15 19 o 7.838414       0.7227798     7.838414       0.5110825     ?              ?         
1 1 1 0  15 20 f 15.76742       0.7655206     15.76742       0.5413048     ?              ?         
1 1 1 0  15 21 o 5.729786       0.6757192     5.729786       0.4778056     ?              ?         
1 1 1 0  15 22 o 0.3018344E-01  0.6564434     0.3018344E-01  0.4641756     ?              ?         
1 1 1 0  15 23 f 2.040581       0.6308408     2.040581       0.4460718     ?              ?         
1 1 1 0  15 24 o 0.9809151      0.6151164     0.9809151      0.4349529     ?              ?         
1 1 1 0  15 25 o 0.1633559      0.6170452     0.1633559      0.4363168     ?              ?         
1 1 1 0  15 26 o 0.2958421      0.6104979     0.2958421      0.4316872     ?              ?         
1 1 1 0  15 27 o 0.3435982      0.6252595     0.3435982      0.4421252     ?              ?         
1 1 1 0  15 28 o 0.7369567      0.6777656     0.7369567      0.4792527     ?              ?         
1 1 1 0  15 29 o 0.6799147      0.6990914     0.6799147      0.4943323     ?              ?         
1 1 1 0  15 30 o 2.245816       0.7405409     2.245816       0.5236415     ?              ?         
1 1 1 0  15 31 o 1.633384       0.7627413     1.633384       0.5393395     ?              ?         
1 1 1 0  15 32 o 0.9151995      0.8058837     0.9151995      0.5698459     ?              ?         
1 1 1 0  16 0  o 259.4073       5.499694      259.4073       3.888871      ?              ?         
1 1 1 0  16 1  o 259.7166       3.885955      259.7166       2.747785      ?              ?         
1 1 1 0  16 2  o 251.2251       3.772445      251.2251       2.667521      ?              ?         
1 1 1 0  16 3  o 99.50128       1.639911      99.50128       1.159592      ?              ?         
1 1 1 0  16 4  o 123.4627       1.943880      123.4627       1.374531      ?              ?         
1 1 1 0  16 5  o 52.61442       1.074311      52.61442       0.7596527     ?              ?         
1 1 1 0  16 6  o 140.4616       2.145133      140.4616       1.516838      ?              ?         
1 1 1 0  16 7  o 78.98335       1.383089      78.98335       0.9779915     ?              ?         
1 1 1 0  16 8  o 25.65899       0.7975781     25.65899       0.5639729     ?              ?         
1 1 1 0  16 9  o 14.99360       0.6943775     14.99360       0.4909990     ?              ?         
1 1 1 0  16 10 o 5.633102       0.5831899     5.633102       0.4123775     ?              ?         
1 1 1 0  16 11 o 37.49292       0.8850423     37.49292       0.6258194     ?              ?         
1 1 1 0  16 12 o 25.11516       0.7822502     25.11516       0.5531344     ?              ?         
1 1 1 0  16 13 o 40.89587       0.9506478     40.89587       0.6722095     ?              ?         
1 1 1 0  16 14 o 0.7411524      0.6548948     0.7411524      0.4630806     ?              ?         
1 1 1 0  16 15 o 8.119524       0.7473832     8.119524       0.5284797     ?              ?         
1 1 1 0  16 16 o 0.5116505      0.6526375     0.5116505      0.4614844     ?              ?         
1 1 1 0  16 17 o 12.60582       0.7242829     12.60582       0.5121453     ?              ?         
1 1 1 0  16 18 o 3.759385       0.7070364     3.759385       0.4999503     ?              ?         
1 1 1 0  16 19 f 3.791739       0.6999871     3.791739       0.4949656     ?              ?         
1 1 1 0  16 20 o 2.130862       0.6627380     2.130862       0.4686266     ?              ?         
1 1 1 0  16 21 o 0.1642565      0.6262941     0.1642565      0.4428568     ?              ?         
1 1 1 0  16 22 o 1.651384       0.6754475     1.651384       0.4776135     ?              ?         
1 1 1 0  16 23 f 6.593802       0.6826569     6.593802       0.4827113     ?              ?         
1 1 1 0  16 24 o 0.2171579      0.6288890     0.2171579      0.4446917     ?              ?         
1 1 1 0  16 25 o 4.634880       0.6366984     4.634880       0.4502137     ?              ?         
1 1 1 0  16 26 o 4.494733       0.6539043     4.494733       0.4623802     ?              ?         
1 1 1 0  16 27 f 5.706810       0.6891494     5.706810       0.4873022     ?              ?         
1 1 1 0  16 28 f 5.986760       0.7448497     5.986760       0.5266883     ?              ?         
1 1 1 0  16 29 o 1.173452       0.7260934     1.173452       0.5134256     ?              ?         
1 1 1 0  16 30 o 0.2844003      0.7441633     0.2844003      0.5262029     ?              ?         
1 1 1 0  16 31 o 1.437047       0.8065513     1.437047       0.5703179     ?              ?         
1 1 1 0  17 0  o -0.2651685     1.048542      -0.2651685     0.7414310     ?              ?         
1 1 1 0  17 1  o 60.27528       1.272774      60.27528       0.8999869     ?              ?         
1 1 1 0  17 2  o 412.9102       5.914906      412.9102       4.182470      ?              ?         
1 1 1 0  17 3  o 547.0192       7.035016      547.0192       4.974507      ?              ?         
1 1 1 0  17 4  o 367.1086       5.047306      367.1086       3.568984      ?              ?         
1 1 1 0  17 5  o 189.2668       2.785243      189.2668       1.969464      ?              ?         
1 1 1 0  17 6  o 97.26247       1.634087      97.26247       1.155474      ?              ?         
1 1 1 0  17 7  o 55.15795       1.124944      55.15795       0.7954559     ?              ?         
1 1 1 0  17 8  o 39.91458       0.9539022     39.91458       0.6745107     ?              ?         
1 1 1 0  17 9  o 8.702514       0.7124185     8.702514       0.5037559     ?              ?         
1 1 1 0  17 10 o 10.43262       0.7069660     10.43262       0.4999005     ?              ?         
1 1 1 0  17 11 o 34.77816       0.8752239     34.77816       0.6188768     ?              ?         
1 1 1 0  17 12 o 0.2516793      0.6435444     0.2516793      0.4550546     ?              ?         
1 1 1 0  17 13 o -0.2676409E-01 0.6579204     -0.2676409E-01 0.4652200     ?              ?         
1 1 1 0  17 14 o 0.7178788      0.6916865     0.7178788      0.4890962     ?              ?         
1 1 1 0  17 15 o 1.231490       0.6766247     1.231490       0.4784459     ?              ?         
1 1 1 0  17 16 o 5.645351       0.6851833     5.645351       0.4844978     ?              ?         
1 1 1 0  17 17 o 26.14775       0.8308474     26.14775       0.5874978     ?              ?         
1 1 1 0  17 18 o 8.920262       0.6788000     8.920262       0.4799841     ?              ?         
1 1 1 0  17 19 o 6.543684       0.7069981     6.543684       0.4999231     ?              ?         
1 1 1 0  17 20 o 1.624191       0.6425547     1.624191       0.4543548     ?              ?         
1 1 1 0  17 21 o 2.242655       0.6766228     2.242655       0.4784446     ?              ?         
1 1 1 0  17 22 o 0.1484279      0.6189702     0.1484279      0.4376780     ?              ?         
1 1 1 0  17 23 o -0.5401124     0.6104946     -0.5401124     0.4316849     ?              ?         
1 1 1 0  17 24 o -0.4313120     0.6119332     -0.4313120     0.4327021     ?              ?         
1 1 1 0  17 25 o 0.2583994      0.6282274     0.2583994      0.4442238     ?              ?         
1 1 1 0  17 26 o 4.468670       0.6687075     4.468670       0.4728476     ?              ?         
1 1 1 0  17 27 o 2.766999       0.6966600     2.766999       0.4926130     ?              ?         
1 1 1 0  17 28 o -0.1197097     0.7182997     -0.1197097     0.5079146     ?              ?         
1 1 1 0  17 29 o 0.1768199      0.7380819     0.1768199      0.5219027     ?              ?         
1 1 1 0  17 30 o -0.1546048     0.7740509     -0.1546048     0.5473366     ?              ?         
1 1 1 0  17 31 o -0.5879919     0.8933457     -0.5879919     0.6316907     ?              ?         
1 1 1 0  18 0  o 97.79162       2.513261      97.79162       1.777144      ?              ?         
1 1 1 0  18 1  o 0.3049026      0.7715241     0.3049026      0.5455499     ?              ?         
1 1 1 0  18 2  o 5.319578       0.7715505     5.319578       0.5455686     ?              ?         
1 1 1 0  18 3  o 6.031135       0.7403788     6.031135       0.5235268     ?              ?         
1 1 1 0  18 4  o 53.09137       1.125913      53.09137       0.7961404     ?              ?         
1 1 1 0  18 5  o 20.01755       0.8199217     20.01755       0.5797722     ?              ?         
1 1 1 0  18 6  o 63.36674       1.240853      63.36674       0.8774159     ?              ?         
1 1 1 0  18 7  f 71.31210       1.348471      71.31210       0.9535129     ?              ?         
1 1 1 0  18 8  o 7.402506       0.7287224     7.402506       0.5152845     ?              ?         
1 1 1 0  18 9  o 2.034886       0.7606188     2.034886       0.5378387     ?              ?         
1 1 1 0  18 10 o 2.141329       0.7349035     2.141329       0.5196553     ?              ?         
1 1 1 0  18 11 o 3.334963       0.7407703     3.334963       0.5238037     ?              ?         
1 1 1 0  18 12 o 17.91113       0.7603925     17.91113       0.5376787     ?              ?         
1 1 1 0  18 13 o 4.621631       0.6814260     4.621631       0.4818410     ?              ?         
1 1 1 0  18 14 o 2.490219       0.6786874     2.490219       0.4799045     ?              ?         
1 1 1 0  18 15 o 7.578487       0.7045992     7.578487       0.4982269     ?              ?         
1 1 1 0  18 16 o 15.95151       0.7464100     15.95151       0.5277916     ?              ?         
1 1 1 0  18 17 o 8.449421       0.6839810     8.449421       0.4836476     ?              ?         
1 1 1 0  18 19 o 0.5373479      0.6005204     0.5373479      0.4246321     ?              ?         
1 1 1 0  18 20 o 0.2505342      0.6421030     0.2505342      0.4540354     ?              ?         
1 1 1 0  18 21 o -1.151886      0.6395721     -1.151886      0.4522458     ?              ?         
1 1 1 0  18 22 f 0.5877635      0.6626450     0.5877635      0.4685608     ?              ?         
1 1 1 0  18 23 o 0.8735669      0.6582806     0.8735669      0.4654746     ?              ?         
1 1 1 0  18 24 o 0.4904539      0.6574896     0.4904539      0.4649154     ?              ?         
1 1 1 0  18 25 f 0.2138705      0.6613741     0.2138705      0.4676621     ?              ?         
1 1 1 0  18 26 o 0.3456611      0.6697421     0.3456611      0.4735792     ?              ?         
1 1 1 0  18 27 f 0.8787044E-02  0.7247688     0.8787044E-02  0.5124889     ?              ?         
1 1 1 0  18 28 o 0.6828110      0.7544105     0.6828110      0.5334488     ?              ?         
1 1 1 0  18 29 o 0.8524317      0.7711852     0.8524317      0.5453103     ?              ?         
1 1 1 0  18 30 o 0.1247188      0.7731293     0.1247188      0.5466850     ?              ?         
1 1 1 0  19 0  o -2.145133      1.176754      -2.145133      0.8320905     ?              ?         
1 1 1 0  19 1  o 19.80364       0.9036869     19.80364       0.6390031     ?              ?         
1 1 1 0  19 2  o 61.57017       1.349420      61.57017       0.9541844     ?              ?         
1 1 1 0  19 3  f 125.9179       2.031479      125.9179       1.436473      ?              ?         
1 1 1 0  19 4  o 89.84470       1.614239      89.84470       1.141439      ?              ?         
1 1 1 0  19 5  o 96.10660       5.013013      96.10660       3.544736      ?              ?         
1 1 1 0  19 6  o 1.076621       0.7388856     1.076621       0.5224711     ?              ?         
1 1 1 0  19 7  o 27.81112       0.9016299     27.81112       0.6375486     ?              ?         
1 1 1 0  19 8  o 39.56071       1.040813      39.56071       0.7359661     ?              ?         
1 1 1 0  19 9  o 37.03198       1.023147      37.03198       0.7234741     ?              ?         
1 1 1 0  19 10 o 17.69066       0.8238343     17.69066       0.5825388     ?              ?         
1 1 1 0  19 11 o 0.1084807E-01  0.7549065     0.1084807E-01  0.5337995     ?              ?         
1 1 1 0  19 12 o 2.833579       0.7374660     2.833579       0.5214672     ?              ?         
1 1 1 0  19 13 o 11.83475       0.7657575     11.83475       0.5414723     ?              ?         
1 1 1 0  19 14 o 9.111691       0.6975625     9.111691       0.4932512     ?              ?         
1 1 1 0  19 15 f 10.24298       0.7071487     10.24298       0.5000296     ?              ?         
1 1 1 0  19 16 o 0.8474165      0.6431918     0.8474165      0.4548053     ?              ?         
1 1 1 0  19 17 o -0.6626546     0.6266276     -0.6626546     0.4430926     ?              ?         
1 1 1 0  19 18 o 8.160520       0.6689157     8.160520       0.4729948     ?              ?         
1 1 1 0  19 19 o 3.374594       0.6338432     3.374594       0.4481949     ?              ?         
1 1 1 0  19 20 o 2.647084       0.6627205     2.647084       0.4686142     ?              ?         
1 1 1 0  19 21 o 0.6077128      0.6518508     0.6077128      0.4609281     ?              ?         
1 1 1 0  19 22 o 1.437974       0.6644035     1.437974       0.4698042     ?              ?         
1 1 1 0  19 23 o -0.5640766     0.6684525     -0.5640766     0.4726673     ?              ?         
1 1 1 0  19 24 o 0.2238864      0.6634572     0.2238864      0.4691351     ?              ?         
1 1 1 0  19 25 o 0.5557048      0.6797034     0.5557048      0.4806229     ?              ?         
1 1 1 0  19 26 o 0.2890148      0.7328020     0.2890148      0.5181692     ?              ?         
1 1 1 0  19 27 o 1.129108       0.7683654     1.129108       0.5433164     ?              ?         
1 1 1 0  19 28 o -0.7550534E-01 0.7630001     -0.7550534E-01 0.5395225     ?              ?         
1 1 1 0  19 29 o 0.7635463      0.8101301     0.7635463      0.5728485     ?              ?         
1 1 1 0  20 0  o 10.73025       1.250075      10.73025       0.8839366     ?              ?         
1 1 1 0  20 1  o 0.9991271      0.8736007     0.9991271      0.6177289     ?              ?         
1 1 1 0  20 2  o -0.3582757     0.7281567     -0.3582757     0.5148846     ?              ?         
1 1 1 0  20 3  o 7.180017       0.7963523     7.180017       0.5631061     ?              ?         
1 1 1 0  20 4  o 3.745250       0.7863220     3.745250       0.5560136     ?              ?         
1 1 1 0  20 5  f 12.72440       0.8396071     12.72440       0.5936919     ?              ?         
1 1 1 0  20 6  o 0.8918141      0.7788202     0.8918141      0.5507090     ?              ?         
1 1 1 0  20 7  o 37.20972       1.015317      37.20972       0.7179378     ?              ?         
1 1 1 0  20 8  o 1.613963       0.7453183     1.613963       0.5270196     ?              ?         
1 1 1 0  20 9  o 6.392291       0.7352858     6.392291       0.5199255     ?              ?         
1 1 1 0  20 10 o 34.25766       1.006617      34.25766       0.7117859     ?              ?         
1 1 1 0  20 11 o 43.63746       1.090477      43.63746       0.7710840     ?              ?         
1 1 1 0  20 12 o 42.91503       1.086111      42.91503       0.7679962     ?              ?         
1 1 1 0  20 13 o 6.386722       0.7339398     6.386722       0.5189738     ?              ?         
1 1 1 0  20 14 o 0.8866935      0.6259245     0.8866935      0.4425955     ?              ?         
1 1 1 0  20 15 o 12.52057       0.7080433     12.52057       0.5006622     ?              ?         
1 1 1 0  20 16 o 15.05455       0.7285845     15.05455       0.5151870     ?              ?         
1 1 1 0  20 17 o 9.738767       0.6836980     9.738767       0.4834475     ?              ?         
1 1 1 0  20 18 o 4.783046       0.6441722     4.783046       0.4554985     ?              ?         
1 1 1 0  20 19 f 1.473245       0.6327653     1.473245       0.4474326     ?              ?         
1 1 1 0  20 20 f 0.2737669      0.6293931     0.2737669      0.4450481     ?              ?         
1 1 1 0  20 21 f 2.569654       0.6931152     2.569654       0.4901064     ?              ?         
1 1 1 0  20 22 o 1.853116       0.6750383     1.853116       0.4773242     ?              ?         
1 1 1 0  20 23 o 0.8003411      0.6883696     0.8003411      0.4867508     ?              ?         
1 1 1 0  20 24 f 0.1374030      0.6971744     0.1374030      0.4929767     ?              ?         
1 1 1 0  20 25 o -0.9092770E-01 0.7222207     -0.9092770E-01 0.5106872     ?              ?         
1 1 1 0  20 26 f 0.1823323E-01  0.8006560     0.1823323E-01  0.5661492     ?              ?         
1 1 1 0  20 27 o -0.7227474     0.7492351     -0.7227474     0.5297892     ?              ?         
1 1 1 0  20 28 o -0.1890359     0.7793612     -0.1890359     0.5510916     ?              ?         
1 1 1 0  21 0  o 2.908802       1.198002      2.908802       0.8471153     ?              ?         
1 1 1 0  21 1  o 0.2228196      0.8749413     0.2228196      0.6186770     ?              ?         
1 1 1 0  21 2  o -1.114097      0.7421700     -1.114097      0.5247934     ?              ?         
1 1 1 0  21 3  o 5.487678       0.7945932     5.487678       0.5618622     ?              ?         
1 1 1 0  21 4  o 11.36578       0.8378788     11.36578       0.5924698     ?              ?         
1 1 1 0  21 5  o 8.561060       0.8093374     8.561060       0.5722880     ?              ?         
1 1 1 0  21 6  o 34.08109       1.006253      34.08109       0.7115282     ?              ?         
1 1 1 0  21 7  o 0.5299377      0.7271180     0.5299377      0.5141501     ?              ?         
1 1 1 0  21 8  o 7.435948       0.7463320     7.435948       0.5277364     ?              ?         
1 1 1 0  21 9  o 6.228845       0.7372337     6.228845       0.5213029     ?              ?         
1 1 1 0  21 10 o 7.025093       0.7528251     7.025093       0.5323278     ?              ?         
1 1 1 0  21 11 o -0.3263119     0.7010925     -0.3263119     0.4957473     ?              ?         
1 1 1 0  21 12 o 1.740888       0.6891744     1.740888       0.4873199     ?              ?         
1 1 1 0  21 13 o 5.138824       0.7201033     5.138824       0.5091899     ?              ?         
1 1 1 0  21 14 o 8.000821       0.7647585     8.000821       0.5407659     ?              ?         
1 1 1 0  21 15 o 5.334960       0.7209362     5.334960       0.5097789     ?              ?         
1 1 1 0  21 16 o 2.654837       0.6468392     2.654837       0.4573844     ?              ?         
1 1 1 0  21 17 o 1.155855       0.6376876     1.155855       0.4509133     ?              ?         
1 1 1 0  21 18 o 0.3334248      0.6437478     0.3334248      0.4551984     ?              ?         
1 1 1 0  21 19 o -0.7213407     0.6479199     -0.7213407     0.4581485     ?              ?         
1 1 1 0  21 20 o -2.262476      0.6547624     -2.262476      0.4629870     ?              ?         
1 1 1 0  21 21 f -0.6359318     0.6425480     -0.6359318     0.4543501     ?              ?         
1 1 1 0  21 22 o -0.6321342     0.7332107     -0.6321342     0.5184582     ?              ?         
1 1 1 0  21 23 o 0.2415064      0.7484618     0.2415064      0.5292424     ?              ?         
1 1 1 0  21 24 o 0.7296423      0.7250113     0.7296423      0.5126604     ?              ?         
1 1 1 0  21 25 o 0.1278774      0.7519661     0.1278774      0.5317203     ?              ?         
1 1 1 0  21 26 o -0.4044496     0.7803464     -0.4044496     0.5517882     ?              ?         
1 1 1 0  21 27 o -0.9562882     0.8119769     -0.9562882     0.5741544     ?              ?         
1 1 1 0  22 0  o 7.424238       1.238558      7.424238       0.8757924     ?              ?         
1 1 1 0  22 1  o 1.950106       0.9009101     1.950106       0.6370396     ?              ?         
1 1 1 0  22 2  f 5.096556       0.8181278     5.096556       0.5785037     ?              ?         
1 1 1 0  22 3  o 5.113079       0.7829886     5.113079       0.5536566     ?              ?         
1 1 1 0  22 4  o 4.654603       0.7398282     4.654603       0.5231375     ?              ?         
1 1 1 0  22 5  f 5.907260       0.7857206     5.907260       0.5555884     ?              ?         
1 1 1 0  22 6  o 5.979115       0.7808534     5.979115       0.5521467     ?              ?         
1 1 1 0  22 7  o 4.836139       0.7484105     4.836139       0.5292061     ?              ?         
1 1 1 0  22 8  o 1.304810       0.7151183     1.304810       0.5056650     ?              ?         
1 1 1 0  22 9  o 14.28707       0.8147213     14.28707       0.5760949     ?              ?         
1 1 1 0  22 10 f 28.27753       0.9516266     28.27753       0.6729016     ?              ?         
1 1 1 0  22 11 o 13.64012       0.8063877     13.64012       0.5702022     ?              ?         
1 1 1 0  22 12 f 7.607960       0.7440947     7.607960       0.5261544     ?              ?         
1 1 1 0  22 13 o 3.704134       0.7221686     3.704134       0.5106503     ?              ?         
1 1 1 0  22 14 o 2.860133       0.7231925     2.860133       0.5113744     ?              ?         
1 1 1 0  22 15 o 3.317925       0.7121903     3.317925       0.5035946     ?              ?         
1 1 1 0  22 16 f 2.716347       0.7040407     2.716347       0.4978320     ?              ?         
1 1 1 0  22 17 o 3.398123       0.6664734     3.398123       0.4712679     ?              ?         
1 1 1 0  22 18 o 0.4562964      0.6564866     0.4562964      0.4642061     ?              ?         
1 1 1 0  22 19 o 1.608150       0.6712993     1.608150       0.4746803     ?              ?         
1 1 1 0  22 20 o -0.2054546     0.6805135     -0.2054546     0.4811957     ?              ?         
1 1 1 0  22 21 o 1.306908       0.6850377     1.306908       0.4843948     ?              ?         
1 1 1 0  22 22 o 0.6685023      0.7550600     0.6685023      0.5339081     ?              ?         
1 1 1 0  22 23 o 0.2303504      0.7455210     0.2303504      0.5271630     ?              ?         
1 1 1 0  22 24 o -0.8037174     0.7822641     -0.8037174     0.5531443     ?              ?         
1 1 1 0  22 25 o 1.975148       0.8189403     1.975148       0.5790782     ?              ?         
1 1 1 0  23 0  o -0.4953518     1.214250      -0.4953518     0.8586046     ?              ?         
1 1 1 0  23 1  o 1.856744       0.8899465     1.856744       0.6292872     ?              ?         
1 1 1 0  23 2  o 4.205675       0.8107635     4.205675       0.5732964     ?              ?         
1 1 1 0  23 3  o 0.5877377      0.8034245     0.5877377      0.5681069     ?              ?         
1 1 1 0  23 4  o 4.389656       0.8078302     4.389656       0.5712222     ?              ?         
1 1 1 0  23 5  o 4.761440       0.7990791     4.761440       0.5650342     ?              ?         
1 1 1 0  23 6  o 0.8289905      0.7617457     0.8289905      0.5386356     ?              ?         
1 1 1 0  23 7  o 1.944103       0.6981531     1.944103       0.4936688     ?              ?         
1 1 1 0  23 8  o 2.562307       0.7443731     2.562307       0.5263513     ?              ?         
1 1 1 0  23 9  o 0.6551169      0.7388507     0.6551169      0.5224463     ?              ?         
1 1 1 0  23 10 o 0.9011632      0.6987675     0.9011632      0.4941033     ?              ?         
1 1 1 0  23 11 o 0.7259158      0.7205478     0.7259158      0.5095043     ?              ?         
1 1 1 0  23 12 o 2.196983       0.7482761     2.196983       0.5291111     ?              ?         
1 1 1 0  23 13 o -0.4837728     0.7158837     -0.4837728     0.5062062     ?              ?         
1 1 1 0  23 14 o 0.3899871      0.7432456     0.3899871      0.5255540     ?              ?         
1 1 1 0  23 15 o 1.913557       0.7362647     1.913557       0.5206178     ?              ?         
1 1 1 0  23 16 o 0.1349662      0.7433921     0.1349662      0.5256576     ?              ?         
1 1 1 0  23 17 o 0.1472068      0.7551323     0.1472068      0.5339592     ?              ?         
1 1 1 0  23 18 o 0.8521156      0.6617023     0.8521156      0.4678942     ?              ?         
1 1 1 0  23 19 o 0.9707748      0.6891933     0.9707748      0.4873333     ?              ?         
1 1 1 0  23 20 o 1.080947       0.7277250     1.080947       0.5145792     ?              ?         
1 1 1 0  23 21 o 2.681931       0.7176725     2.681931       0.5074711     ?              ?         
1 1 1 0  23 22 o 1.424955       0.7437098     1.424955       0.5258822     ?              ?         
1 1 1 0  23 23 o 2.242782       0.7874620     2.242782       0.5568197     ?              ?         
1 1 1 0  23 24 o 0.1252582      0.8155584     0.1252582      0.5766869     ?              ?         
1 1 1 0  24 0  o 0.4612755      1.285620      0.4612755      0.9090707     ?              ?         
1 1 1 0  24 1  o 0.2319540E-01  0.8792245     0.2319540E-01  0.6217056     ?              ?         
1 1 1 0  24 2  o -0.5227557     0.7726260     -0.5227557     0.5463291     ?              ?         
1 1 1 0  24 3  o 0.5830730      0.7540863     0.5830730      0.5332195     ?              ?         
1 1 1 0  24 4  o 1.395760       0.7986280     1.395760       0.5647153     ?              ?         
1 1 1 0  24 5  o 0.2237050      0.7590788     0.2237050      0.5367498     ?              ?         
1 1 1 0  24 6  o 2.726519       0.8005900     2.726519       0.5661026     ?              ?         
1 1 1 0  24 7  o 1.265397       0.7304000     1.265397       0.5164708     ?              ?         
1 1 1 0  24 8  o 6.657491       0.7970243     6.657491       0.5635813     ?              ?         
1 1 1 0  24 9  o 0.4929945      0.7208841     0.4929945      0.5097420     ?              ?         
1 1 1 0  24 10 o 0.6622249      0.7420731     0.6622249      0.5247250     ?              ?         
1 1 1 0  24 11 o 0.3048450      0.7545280     0.3048450      0.5335319     ?              ?         
1 1 1 0  24 12 o 3.421404       0.7638301     3.421404       0.5401094     ?              ?         
1 1 1 0  24 13 o 3.544944       0.7746534     3.544944       0.5477626     ?              ?         
1 1 1 0  24 14 o 14.08285       0.8783960     14.08285       0.6211198     ?              ?         
1 1 1 0  24 15 o 6.858580       0.8190747     6.858580       0.5791733     ?              ?         
1 1 1 0  24 16 o 5.170960       0.8174155     5.170960       0.5780000     ?              ?         
1 1 1 0  24 17 o 1.381488       0.7726853     1.381488       0.5463710     ?              ?         
1 1 1 0  24 18 o 1.014437       0.7986690     1.014437       0.5647443     ?              ?         
1 1 1 0  24 19 o -0.5903563     0.7761120     -0.5903563     0.5487941     ?              ?         
1 1 1 0  24 20 f -0.6641291E-01 0.7272359     -0.6641291E-01 0.5142334     ?              ?         
1 1 1 0  24 21 o 1.264205       0.7415422     1.264205       0.5243495     ?              ?         
1 1 1 0  24 22 o 1.286184       0.7406341     1.286184       0.5237074     ?              ?         
1 1 1 0  24 23 o 0.6319579      0.8174925     0.6319579      0.5780545     ?              ?         
1 1 1 0  25 0  o 0.5039107      1.306046      0.5039107      0.9235142     ?              ?         
1 1 1 0  25 1  o 1.372714       0.7878671     1.372714       0.5571061     ?              ?         
1 1 1 0  25 2  o 7.433720       0.8228490     7.433720       0.5818421     ?              ?         
1 1 1 0  25 3  o 14.86241       0.8695178     14.86241       0.6148419     ?              ?         
1 1 1 0  25 4  f 22.46633       0.9546458     22.46633       0.6750365     ?              ?         
1 1 1 0  25 5  o 23.07204       0.9560174     23.07204       0.6760064     ?              ?         
1 1 1 0  25 6  o 31.30414       1.043349      31.30414       0.7377588     ?              ?         
1 1 1 0  25 7  f 28.15751       0.9992760     28.15751       0.7065948     ?              ?         
1 1 1 0  25 8  o 14.98843       0.8875255     14.98843       0.6275753     ?              ?         
1 1 1 0  25 9  f 5.089546       0.8110079     5.089546       0.5734692     ?              ?         
1 1 1 0  25 10 o 6.322284       0.8101534     6.322284       0.5728649     ?              ?         
1 1 1 0  25 11 o 4.375715       0.8117055     4.375715       0.5739625     ?              ?         
1 1 1 0  25 12 o 0.7920498      0.7820095     0.7920498      0.5529642     ?              ?         
1 1 1 0  25 13 o 2.979549       0.8082862     2.979549       0.5715447     ?              ?         
1 1 1 0  25 14 o 3.218504       0.8228964     3.218504       0.5818756     ?              ?         
1 1 1 0  25 15 f 1.540040       0.8015852     1.540040       0.5668063     ?              ?         
1 1 1 0  25 16 o 0.2865891      0.8137316     0.2865891      0.5753952     ?              ?         
1 1 1 0  25 17 o 0.7609008      0.8155926     0.7609008      0.5767111     ?              ?         
1 1 1 0  25 18 o 0.5963582      0.8384660     0.5963582      0.5928850     ?              ?         
1 1 1 0  25 19 o 1.063226       0.8307279     1.063226       0.5874133     ?              ?         
1 1 1 0  25 20 o 1.386580       0.8316791     1.386580       0.5880859     ?              ?         
1 1 1 0  25 21 f -0.4342649E-01 0.7147116     -0.4342649E-01 0.5053774     ?              ?         
1 1 1 0  26 0  o 15.75329       1.530781      15.75329       1.082426      ?              ?         
1 1 1 0  26 1  o 15.64798       0.9143511     15.64798       0.6465439     ?              ?         
1 1 1 0  26 2  o 3.686280       0.8600128     3.686280       0.6081209     ?              ?         
1 1 1 0  26 3  f -0.8416760E-01 0.8542529     -0.8416760E-01 0.6040480     ?              ?         
1 1 1 0  26 4  o -0.7244163     0.7984602     -0.7244163     0.5645966     ?              ?         
1 1 1 0  26 5  o 0.5034411      0.8655102     0.5034411      0.6120082     ?              ?         
1 1 1 0  26 6  o 0.5413676E-01  0.7785044     0.5413676E-01  0.5504858     ?              ?         
1 1 1 0  26 7  o 0.6497726E-01  0.8145909     0.6497726E-01  0.5760027     ?              ?         
1 1 1 0  26 8  f 0.3029647      0.8050791     0.3029647      0.5692769     ?              ?         
1 1 1 0  26 9  f 2.152171       0.8108892     2.152171       0.5733853     ?              ?         
1 1 1 0  26 10 o 10.19629       0.8765761     10.19629       0.6198329     ?              ?         
1 1 1 0  26 11 o 7.333893       0.8660954     7.333893       0.6124219     ?              ?         
1 1 1 0  26 12 f 3.067212       0.8448923     3.067212       0.5974290     ?              ?         
1 1 1 0  26 13 o 1.373958       0.8531045     1.373958       0.6032360     ?              ?         
1 1 1 0  26 14 o 3.280625       0.8330376     3.280625       0.5890465     ?              ?         
1 1 1 0  26 15 o 3.665044       0.8715984     3.665044       0.6163132     ?              ?         
1 1 1 0  26 16 f 1.745145       0.8442013     1.745145       0.5969405     ?              ?         
1 1 1 0  26 17 o 0.1337767E-01  0.8551201     0.1337767E-01  0.6046612     ?              ?         
1 1 1 0  26 18 o 1.520773       0.8654858     1.520773       0.6119909     ?              ?         
1 1 1 0  26 19 o 0.1885281      0.8613014     0.1885281      0.6090321     ?              ?         
1 1 1 0  27 0  o 0.4290790      1.439086      0.4290790      1.017588      ?              ?         
1 1 1 0  27 1  o 1.903850       0.8557202     1.903850       0.6050856     ?              ?         
1 1 1 0  27 2  o 3.165940       0.8922004     3.165940       0.6308809     ?              ?         
1 1 1 0  27 3  o 0.6059187      0.8630314     0.6059187      0.6102554     ?              ?         
1 1 1 0  27 4  o 6.239207       0.8960377     6.239207       0.6335943     ?              ?         
1 1 1 0  27 5  o 9.870592       0.9100785     9.870592       0.6435227     ?              ?         
1 1 1 0  27 6  f 6.215700       0.9085581     6.215700       0.6424476     ?              ?         
1 1 1 0  27 7  o 4.518562       0.8851437     4.518562       0.6258911     ?              ?         
1 1 1 0  27 8  o 1.316412       0.8588311     1.316412       0.6072853     ?              ?         
1 1 1 0  27 9  o -0.7973594     0.8650335     -0.7973594     0.6116710     ?              ?         
1 1 1 0  27 10 f -0.1289705     0.8655047     -0.1289705     0.6120042     ?              ?         
1 1 1 0  27 11 o 2.628272       0.8719583     2.628272       0.6165676     ?              ?         
1 1 1 0  27 12 o 5.099708       0.9006334     5.099708       0.6368440     ?              ?         
1 1 1 0  27 13 o 127.4777       5.034675      127.4777       3.560053      ?              ?         
1 1 1 0  27 14 o -0.1999221     0.8761525     -0.1999221     0.6195334     ?              ?         
1 1 1 0  27 15 o 1.136025       0.9252668     1.136025       0.6542624     ?              ?         
1 1 1 0  27 16 o 1.751358       0.8813261     1.751358       0.6231917     ?              ?         
1 1 1 0  27 17 o -0.4070301     0.8739002     -0.4070301     0.6179408     ?              ?         
1 1 1 0  28 0  o 18.33298       1.286246      18.33298       0.9095135     ?              ?         
1 1 1 0  28 1  o 8.262053       0.9431342     8.262053       0.6668966     ?              ?         
1 1 1 0  28 2  o 3.358130       0.9249302     3.358130       0.6540244     ?              ?         
1 1 1 0  28 3  o 1.615631       0.8560671     1.615631       0.6053309     ?              ?         
1 1 1 0  28 4  o 4.985364       0.9620021     4.985364       0.6802382     ?              ?         
1 1 1 0  28 5  o 4.694142       0.9572753     4.694142       0.6768959     ?              ?         
1 1 1 0  28 6  o 1.566127       0.9001403     1.566127       0.6364954     ?              ?         
1 1 1 0  28 7  o -0.3591016     0.9043770     -0.3591016     0.6394911     ?              ?         
1 1 1 0  28 8  o 1.918577       0.8979005     1.918577       0.6349115     ?              ?         
1 1 1 0  28 9  o 1.628785       0.8955781     1.628785       0.6332693     ?              ?         
1 1 1 0  28 10 o 2.162148       0.9005693     2.162148       0.6367986     ?              ?         
1 1 1 0  28 11 o 1.422230       0.8940795     1.422230       0.6322097     ?              ?         
1 1 1 0  28 12 o 1.794712       0.8948390     1.794712       0.6327467     ?              ?         
1 1 1 0  28 13 o 1.060130       0.8978980     1.060130       0.6349097     ?              ?         
1 1 1 0  28 14 o 0.9298703      0.9115788     0.9298703      0.6445835     ?              ?         
1 1 1 0  28 15 o 1.230547       0.9245839     1.230547       0.6537796     ?              ?         
1 1 1 0  29 0  o 97.00348       3.959827      97.00348       2.800020      ?              ?         
1 1 1 0  29 1  f 2.193326       0.9320759     2.193326       0.6590772     ?              ?         
1 1 1 0  29 2  o 5.237771       0.9179269     5.237771       0.6490723     ?              ?         
1 1 1 0  29 3  o 4.825833       1.001220      4.825833       0.7079694     ?              ?         
1 1 1 0  29 4  o 5.423029       0.9705262     5.423029       0.6862656     ?              ?         
1 1 1 0  29 5  f 3.600870       0.9595107     3.600870       0.6784765     ?              ?         
1 1 1 0  29 6  f 0.6082941      0.9088445     0.6082941      0.6426501     ?              ?         
1 1 1 0  29 7  o 0.8928512      0.9274980     0.8928512      0.6558401     ?              ?         
1 1 1 0  29 8  o -0.5573435     0.9496102     -0.5573435     0.6714758     ?              ?         
1 1 1 0  29 9  o -0.5135272     0.9149300     -0.5135272     0.6469532     ?              ?         
1 1 1 0  29 10 o 1.118228       0.9010304     1.118228       0.6371247     ?              ?         
1 1 1 0  29 11 o -0.6183450E-01 0.9297916     -0.6183450E-01 0.6574619     ?              ?         
1 1 1 0  30 0  o 23.17966       1.509174      23.17966       1.067147      ?              ?         
1 1 1 0  30 1  o 16.70501       1.047986      16.70501       0.7410378     ?              ?         
1 1 1 0  30 2  o 11.63289       1.079064      11.63289       0.7630138     ?              ?         
1 1 1 0  30 3  o 4.445608       1.005677      4.445608       0.7111207     ?              ?         
1 1 1 0  30 4  f 1.057322       0.9346688     1.057322       0.6609106     ?              ?         
1 1 1 0  30 5  o 0.3199341      0.9928789     0.3199341      0.7020714     ?              ?         
1 1 1 0  30 6  f -0.4056761     0.9533806     -0.4056761     0.6741419     ?              ?         
1 1 1 0  30 7  o 0.6455505      0.9689091     0.6455505      0.6851223     ?              ?         
1 1 1 1  0  2  o 42.19436       0.9072932     42.19436       0.6415532     ?              ?         
1 1 1 1  0  3  f 23.15135       0.7050250     23.15135       0.4985280     ?              ?         
1 1 1 1  0  4  o 133.6209       1.826533      133.6209       1.291554      ?              ?         
1 1 1 1  0  5  o 1.181450       0.1156097     1.181450       0.8174838E-01 ?              ?         
1 1 1 1  0  6  o 101.8932       1.336061      101.8932       0.9447378     ?              ?         
1 1 1 1  0  7  o 4.185126       0.2009059     4.185126       0.1420619     ?              ?         
1 1 1 1  0  8  o 0.8537198      0.1896787     0.8537198      0.1341231     ?              ?         
1 1 1 1  0  9  o 606.3145       6.376233      606.3145       4.508677      ?              ?         
1 1 1 1  0  10 f 18.75728       0.4283163     18.75728       0.3028654     ?              ?         
1 1 1 1  0  11 o 316.3443       3.853308      316.3443       2.724700      ?              ?         
1 1 1 1  0  12 f 1.215898       0.3131118     1.215898       0.2214035     ?              ?         
1 1 1 1  0  13 o 31.33723       0.6483034     31.33723       0.4584198     ?              ?         
1 1 1 1  0  14 o 20.22238       0.5352755     20.22238       0.3784969     ?              ?         
1 1 1 1  0  15 o 116.1122       1.788633      116.1122       1.264755      ?              ?         
1 1 1 1  0  16 o 4.365527       0.4259963     4.365527       0.3012249     ?              ?         
1 1 1 1  0  17 o 1.432348       0.4509676     1.432348       0.3188822     ?              ?         
1 1 1 1  0  18 o 66.68554       1.189441      66.68554       0.8410621     ?              ?         
1 1 1 1  0  19 o 22.84643       0.6800786     22.84643       0.4808882     ?              ?         
1 1 1 1  0  20 o 53.83979       1.072210      53.83979       0.7581670     ?              ?         
1 1 1 1  0  21 o 0.3112095      0.5671301     0.3112095      0.4010216     ?              ?         
1 1 1 1  0  22 o 6.032769       0.6448665     6.032769       0.4559895     ?              ?         
1 1 1 1  0  23 o 3.305711       0.6842118     3.305711       0.4838108     ?              ?         
1 1 1 1  0  24 o 1.503072       0.7192290     1.503072       0.5085717     ?              ?         
1 1 1 1  0  25 o 5.980477       0.7773463     5.980477       0.5496668     ?              ?         
1 1 1 1  0  26 f 7.671165       0.7911326     7.671165       0.5594152     ?              ?         
1 1 1 1  0  27 o 3.275535       0.7338443     3.275535       0.5189063     ?              ?         
1 1 1 1  0  28 f 7.072556       0.7371572     7.072556       0.5212488     ?              ?         
1 1 1 1  0  29 o 4.690264       0.7022415     4.690264       0.4965598     ?              ?         
1 1 1 1  0  30 o 2.366914       0.6741879     2.366914       0.4767228     ?              ?         
1 1 1 1  0  31 o 1.990347       0.6661223     1.990347       0.4710196     ?              ?         
1 1 1 1  0  32 o 0.2130554      0.6815072     0.2130554      0.4818983     ?              ?         
1 1 1 1  0  33 o 3.423574       0.7291701     3.423574       0.5156011     ?              ?         
1 1 1 1  0  34 o 1.618708       0.7606372     1.618708       0.5378517     ?              ?         
1 1 1 1  0  35 o 1.343998       0.8070316     1.343998       0.5706576     ?              ?         
1 1 1 1  0  36 o -0.7507914     0.8468585     -0.7507914     0.5988194     ?              ?         
1 1 1 1  0  37 o 0.9332685      0.8903025     0.9332685      0.6295389     ?              ?         
1 1 1 1  1  1  o 17.01908       0.4326721     17.07463       0.5846301     16.95183       0.6433588 
1 1 1 1  1  2  o 821.4058       7.223851      820.7117       9.812696      822.2270       10.67366  
1 1 1 1  1  3  o 76.95480       0.8449827     76.08552       1.199911      77.80994       1.190121  
1 1 1 1  1  4  o 130.7503       1.166160      126.0147       1.635331      135.6499       1.663427  
1 1 1 1  1  5  o 103.7847       0.9265198     103.8979       1.303001      103.6688       1.317716  
1 1 1 1  1  6  o 206.1201       1.710843      210.4314       2.495372      202.2961       2.350148  
1 1 1 1  1  7  o 333.1244       2.581393      333.1823       3.657778      333.0669       3.643547  
1 1 1 1  1  8  o 277.1593       2.259804      276.5652       3.193737      277.7549       3.197957  
1 1 1 1  1  9  o 27.29975       0.3670698     26.17036       0.5124074     28.49026       0.5260935 
1 1 1 1  1  10 o 13.18132       0.2596035     12.59383       0.3640890     13.78889       0.3702583 
1 1 1 1  1  11 o 36.14716       0.4773238     35.86143       0.6730791     36.43623       0.6770136 
1 1 1 1  1  12 o 84.98647       0.9445522     86.82764       1.346929      83.20494       1.324939  
1 1 1 1  1  13 o 8.108444       0.2768681     8.069985       0.3890387     8.147912       0.3941119 
1 1 1 1  1  14 o 63.99663       0.7730300     64.04014       1.092502      63.95300       1.093959  
1 1 1 1  1  15 o 9.049776       0.3138201     8.890951       0.4420716     9.211123       0.4455662 
1 1 1 1  1  16 o 25.51385       0.4472494     26.20609       0.6339151     24.82774       0.6311067 
1 1 1 1  1  17 f 28.85864       0.4907797     28.48213       0.6889101     29.24664       0.6993420 
1 1 1 1  1  18 f 39.39225       0.5922830     38.47882       0.8304328     40.33797       0.8449860 
1 1 1 1  1  19 o 3.406433       0.3760385     3.055315       0.5283540     3.766859       0.5353118 
1 1 1 1  1  20 o 34.54343       0.5958444     34.66203       0.8404207     34.42356       0.8448997 
1 1 1 1  1  21 o 8.654140       0.4427526     8.810232       0.6244929     8.496385       0.6278138 
1 1 1 1  1  22 o 9.741430       0.4789946     10.11363       0.6749734     9.363829       0.6798542 
1 1 1 1  1  23 o 9.401932       0.4998560     9.923598       0.7083493     8.884503       0.7054657 
1 1 1 1  1  24 o 8.232136       0.5337030     7.936451       0.7548788     8.527649       0.7546614 
1 1 1 1  1  25 o 1.197319       0.5299948     0.7905735      0.7532747     1.596068       0.7458324 
1 1 1 1  1  26 o 17.13846       0.6027535     17.82592       0.8465620     16.43164       0.8584058 
1 1 1 1  1  27 o 4.738441       0.5328372     4.688292       0.7563376     4.787858       0.7507844 
1 1 1 1  1  28 o 6.354894       0.5261809     5.619549       0.7544908     7.051197       0.7341888 
1 1 1 1  1  29 f 3.946251       0.5008038     3.302472       0.7054194     4.600443       0.7111019 
1 1 1 1  1  30 o 0.7304502      0.4843355     0.7226173      0.6849514     0.7382833      0.6849563 
1 1 1 1  1  31 o 2.883717       0.4932167     2.609914       0.7116179     3.136841       0.6842163 
1 1 1 1  1  32 o 2.261987       0.4886653     1.816370       0.6861718     2.720579       0.6960893 
1 1 1 1  1  33 o 5.081129       0.5257332     5.985003       0.7448013     4.183548       0.7422037 
1 1 1 1  1  34 o 1.863612       0.5394382     2.145008       0.7649151     1.585189       0.7608628 
1 1 1 1  1  35 o 2.193284       0.5799426     0.5405738      0.8262081     3.798492       0.8142483 
1 1 1 1  1  36 o 0.4603123      0.6042629     0.4859658      0.8553918     0.4347588      0.8537244 
1 1 1 1  1  37 o 0.5861982      0.6284204     0.5905697      0.8777128     0.5816002      0.9001532 
1 1 1 1  2  0  o -0.2284134E-02 0.4619012E-01 -0.2284134E-02 0.3266134E-01 ?              ?         
1 1 1 1  2  1  o 509.8140       4.793980      498.2353       7.229744      518.9001       6.404452  
1 1 1 1  2  2  o 27.99747       0.4057029     27.90394       0.5447013     28.11400       0.6080055 
1 1 1 1  2  3  o 268.4844       2.063459      271.3318       2.880511      265.4831       2.957348  
1 1 1 1  2  4  o 230.6095       1.902635      234.3961       2.601077      226.2517       2.790347  
1 1 1 1  2  5  o 388.4455       2.827235      379.6187       3.999619      397.2608       3.997011  
1 1 1 1  2  6  o 549.3896       3.960723      550.8914       5.622709      547.9105       5.580151  
1 1 1 1  2  7  f 283.4640       2.301627      278.9300       3.191675      288.3765       3.322234  
1 1 1 1  2  8  o 150.2960       1.389730      147.8470       1.957820      152.7833       1.973018  
1 1 1 1  2  9  o 84.41789       0.8932127     85.51080       1.269327      83.34586       1.257148  
1 1 1 1  2  10 o 61.52235       0.7010216     60.82064       0.9894411     62.22963       0.9933589 
1 1 1 1  2  11 o 47.23402       0.5818043     45.97035       0.8146664     48.54942       0.8311731 
1 1 1 1  2  12 o 262.3394       2.432427      264.3857       3.453619      260.3250       3.426486  
1 1 1 1  2  13 o 24.09369       0.4020567     24.12290       0.5677962     24.06431       0.5693953 
1 1 1 1  2  14 o 276.3521       2.641279      276.0840       3.707716      276.6283       3.763575  
1 1 1 1  2  15 f 11.84517       0.3355874     11.99766       0.4694202     11.68576       0.4799390 
1 1 1 1  2  16 f 2.495736       0.3043538     2.299827       0.4257832     2.700419       0.4352142 
1 1 1 1  2  17 o 4.551158       0.3279275     4.508494       0.4505165     4.599235       0.4782435 
1 1 1 1  2  18 o 6.675390       0.3680953     6.791398       0.5190877     6.558052       0.5220557 
1 1 1 1  2  19 o 194.6688       2.081151      191.7671       2.924276      197.6469       2.962481  
1 1 1 1  2  20 o 142.1721       1.599487      139.6519       2.241768      144.7855       2.282824  
1 1 1 1  2  21 o 43.60054       0.6938250     43.67165       0.9777486     43.52841       0.9847220 
1 1 1 1  2  22 o 2.342983       0.4464289     2.952001       0.6307037     1.731479       0.6319898 
1 1 1 1  2  23 o 7.435833       0.5036264     7.383581       0.7270107     7.484044       0.6983256 
1 1 1 1  2  24 f 3.821289       0.5230712     4.047705       0.7281314     3.579843       0.7519104 
1 1 1 1  2  25 o 6.504585       0.5469475     6.859768       0.7788039     6.158914       0.7683039 
1 1 1 1  2  26 f 5.531660       0.5462994     5.984363       0.7712706     5.075859       0.7739042 
1 1 1 1  2  27 o 2.115745       0.5177272     1.999930       0.7231677     2.237517       0.7415313 
1 1 1 1  2  28 o 5.378990       0.5392791     4.579547       0.7860391     6.089909       0.7412424 
1 1 1 1  2  29 o 2.425358       0.4979633     2.659986       0.7060336     2.193116       0.7024332 
1 1 1 1  2  30 o 2.457458       0.4839101     2.157682       0.6831192     2.759408       0.6855919 
1 1 1 1  2  31 o 2.013646       0.4884288     1.294111       0.6750159     2.804374       0.7076223 
1 1 1 1  2  32 o 0.4417055      0.4900474     0.1108598E-01  0.7054148     0.8433613      0.6812786 
1 1 1 1  2  33 o 0.5598364      0.5034611     1.595029       0.7002010     -0.5482042     0.7244194 
1 1 1 1  2  34 o 0.6545659      0.5380176     0.1465084      0.7647231     1.152516       0.7570779 
1 1 1 1  2  35 o -0.2801817     0.5612540     -0.6804420     0.7913995     0.1248346      0.7960873 
1 1 1 1  2  36 o 0.7224482      0.6138481     0.3074569      0.8514469     1.171598       0.8857964 
1 1 1 1  2  37 o 0.3023003      0.6252495     -0.4937921E-01 0.8826911     0.6564532      0.8857896 
1 1 1 1  3  0  o 1147.819       27.40285      1147.819       19.37674      ?              ?         
1 1 1 1  3  1  o 55.12075       0.6701945     51.75702       0.9003805     59.29987       1.003594  
1 1 1 1  3  2  o 267.7335       2.092050      266.3227       3.020359      269.0345       2.900492  
1 1 1 1  3  3  o 196.7477       1.538950      199.4073       2.184939      194.1292       2.167967  
1 1 1 1  3  4  o 468.5628       3.142224      465.3827       4.484729      471.6295       4.403924  
1 1 1 1  3  5  o 35.49451       0.3830512     36.48975       0.5462680     34.53177       0.5372762 
1 1 1 1  3  6  o 199.4160       1.626517      201.2999       2.258180      197.3849       2.344745  
1 1 1 1  3  7  o 40.82265       0.4793551     39.91816       0.6755460     41.73992       0.6803001 
1 1 1 1  3  8  f 132.9711       1.275185      135.4271       1.815987      130.5822       1.791040  
1 1 1 1  3  9  o 49.46381       0.5852232     48.34715       0.8229282     50.60636       0.8324146 
1 1 1 1  3  10 o 128.1403       1.294343      128.9024       1.832060      127.3809       1.828898  
1 1 1 1  3  11 o 7.888723       0.2534815     6.962635       0.3581651     8.818046       0.3587898 
1 1 1 1  3  12 o 24.48354       0.3957110     24.47878       0.5569192     24.48840       0.5623602 
1 1 1 1  3  13 o 67.74063       0.8031788     66.40104       1.128378      69.11638       1.143506  
1 1 1 1  3  14 o 21.43909       0.3928107     20.56406       0.5504342     22.34722       0.5607458 
1 1 1 1  3  15 o 206.1867       2.080460      206.9784       2.935890      205.3882       2.948580  
1 1 1 1  3  16 o 69.09037       0.8444809     69.83738       1.196407      68.34866       1.192157  
1 1 1 1  3  17 f 33.98732       0.5411421     33.63090       0.7613147     34.35128       0.7693294 
1 1 1 1  3  18 o 77.27377       0.9529622     77.74601       1.347058      76.80063       1.348327  
1 1 1 1  3  19 o 2.992616       0.3755235     2.994298       0.5336849     2.990966       0.5284939 
1 1 1 1  3  20 o 154.7347       1.720701      154.7448       2.433318      154.7247       2.433561  
1 1 1 1  3  21 f 23.06500       0.5464287     23.54766       0.7718884     22.58013       0.7736486 
1 1 1 1  3  22 o 38.92789       0.6833771     39.60582       0.9702357     38.26047       0.9626908 
1 1 1 1  3  23 o 24.62939       0.6076677     25.08577       0.8574750     24.16895       0.8612815 
1 1 1 1  3  24 o 7.274305       0.5380931     7.011462       0.7571986     7.542464       0.7648157 
1 1 1 1  3  25 o -0.4855746     0.5315642     -0.5043880     0.7532444     -0.4669102     0.7502550 
1 1 1 1  3  26 o 5.577348       0.5548517     5.843271       0.7879037     5.315735       0.7814931 
1 1 1 1  3  27 o 2.611504       0.5207136     3.419342       0.7344428     1.794995       0.7383733 
1 1 1 1  3  28 o 5.118112       0.5152003     5.209717       0.7342957     5.029293       0.7230411 
1 1 1 1  3  29 f 0.7006651E-01  0.4849719     -0.1077349     0.6850207     0.2487356      0.6866901 
1 1 1 1  3  30 o 0.6334831      0.4839656     0.7193958      0.6872068     0.5489448      0.6816880 
1 1 1 1  3  31 f 0.3885508      0.4819651     -0.5752058     0.6893123     1.310359       0.6741440 
1 1 1 1  3  32 o 1.604246       0.4929140     2.122107       0.6886905     1.060342       0.7057956 
1 1 1 1  3  33 o 2.663323       0.5045408     2.551352       0.7081847     2.778739       0.7189949 
1 1 1 1  3  34 o 0.9187746      0.7617081     0.5030705      0.8301787     3.131589       1.915367  
1 1 1 1  3  35 o 0.2436329E-01  0.5693514     -0.6103493     0.7952744     0.6917287      0.8154743 
1 1 1 1  3  36 o 0.9735971      0.5990016     -0.9708441     0.8524595     2.870040       0.8418723 
1 1 1 1  3  37 o 0.2565981      0.6440480     0.6180274      0.9049785     -0.1143185     0.9167791 
1 1 1 1  4  0  o 126.9488       1.758705      126.9488       1.243592      ?              ?         
1 1 1 1  4  1  o 162.2203       1.407976      159.5726       2.095147      164.4007       1.901297  
1 1 1 1  4  2  o 293.3064       2.163786      298.4056       3.084371      288.3648       3.036306  
1 1 1 1  4  3  o 522.5486       3.468515      525.9958       4.923110      519.1511       4.887525  
1 1 1 1  4  4  f 250.9984       1.836385      251.7664       2.602476      250.2367       2.591639  
1 1 1 1  4  5  o 285.1055       2.088940      287.8954       2.970619      282.3765       2.938066  
1 1 1 1  4  6  o 635.2808       4.314136      634.9481       6.184693      635.5961       6.020824  
1 1 1 1  4  7  o 27.02819       0.3516457     27.49368       0.4834932     26.50545       0.5123662 
1 1 1 1  4  8  o 352.7357       2.827614      344.9945       3.905027      361.2682       4.099778  
1 1 1 1  4  9  o 105.8122       1.086583      106.1183       1.539565      105.5083       1.533772  
1 1 1 1  4  10 o 36.50048       0.4838817     34.26669       0.6751644     38.85956       0.6938419 
1 1 1 1  4  11 o 31.91905       0.4533655     32.19699       0.6450242     31.64768       0.6373558 
1 1 1 1  4  12 o 21.86125       0.3799246     22.54764       0.5428087     21.20206       0.5319451 
1 1 1 1  4  13 o 36.64738       0.5202124     36.13571       0.7309597     37.17253       0.7405160 
1 1 1 1  4  14 o 146.8419       1.540357      149.2319       2.185869      144.4843       2.170995  
1 1 1 1  4  15 f 10.35977       0.3391596     10.83953       0.4887894     9.914310       0.4709937 
1 1 1 1  4  16 o 131.2041       1.436498      133.3168       2.041325      129.1316       2.021846  
1 1 1 1  4  17 o 16.68821       0.4094632     17.38035       0.5885127     16.03879       0.5700647 
1 1 1 1  4  18 o 9.030766       0.3915621     9.605496       0.5523253     8.450057       0.5551907 
1 1 1 1  4  19 o 7.287065       0.3967378     6.958201       0.5544087     7.632228       0.5679812 
1 1 1 1  4  20 o 85.21980       1.061706      84.73849       1.498225      85.70531       1.504754  
1 1 1 1  4  21 o 9.891268       0.4622002     10.33015       0.6537097     9.452547       0.6535898 
1 1 1 1  4  22 o 20.71177       0.5592309     22.10998       0.7999542     19.37530       0.7820922 
1 1 1 1  4  23 o 12.15045       0.5357686     12.35946       0.7514676     11.93436       0.7640720 
1 1 1 1  4  24 o -0.3234547E-01 0.5167811     0.7203563E-01  0.7190568     -0.1438596     0.7432196 
1 1 1 1  4  25 o 1.400404       0.5396865     2.164356       0.7761884     0.6854138      0.7509034 
1 1 1 1  4  26 o 0.6280634      0.5258510     0.2546014      0.7391757     1.010739       0.7482382 
1 1 1 1  4  27 o 6.213138       0.5268008     5.600502       0.7401367     6.842175       0.7499785 
1 1 1 1  4  28 o 4.113513       0.5164125     3.680457       0.7463073     4.511348       0.7153134 
1 1 1 1  4  29 f 0.3103473E-01  0.4870299     0.1142332      0.6966591     -0.4849644E-01 0.6811320 
1 1 1 1  4  30 o -0.4385453     0.4718910     -0.4399051E-01 0.6544967     -0.8657033     0.6810014 
1 1 1 1  4  31 f 0.7249891      0.4767906     0.2368193      0.6610066     1.254450       0.6883946 
1 1 1 1  4  32 o 0.5256685E-01  0.4786444     0.6569514      0.6743132     -0.5612010     0.6795276 
1 1 1 1  4  33 o -0.6005679     0.5072418     -1.023175      0.7112705     -0.1632007     0.7235846 
1 1 1 1  4  34 o 0.3702088      0.5519278     -0.6590848E-01 0.7568190     0.8656464      0.8066494 
1 1 1 1  4  35 o 0.1413521      0.5697624     0.6944183      0.8012960     -0.4242288     0.8103111 
1 1 1 1  4  36 f -0.9291007E-01 0.5968267     0.4461482      0.8341548     -0.6583011     0.8542859 
1 1 1 1  5  0  o 396.0260       4.268691      396.0260       3.018420      ?              ?         
1 1 1 1  5  1  o 514.2786       3.685086      519.8375       5.319268      509.1483       5.110025  
1 1 1 1  5  2  o 461.3435       3.316652      461.1930       4.676215      461.4960       4.704824  
1 1 1 1  5  3  o 83.36536       0.7796944     80.85490       1.125902      85.67867       1.080790  
1 1 1 1  5  4  o 46.02807       0.4952420     48.57355       0.6768589     43.09527       0.7265324 
1 1 1 1  5  5  o 123.3708       1.076935      121.4219       1.514932      125.3619       1.531230  
1 1 1 1  5  6  o 130.7689       1.144421      130.0980       1.617294      131.4417       1.619621  
1 1 1 1  5  7  o 132.3793       1.193178      135.3800       1.740434      129.7183       1.638953  
1 1 1 1  5  8  o 28.30200       0.3726703     27.90936       0.5239632     28.70398       0.5301623 
1 1 1 1  5  9  f 34.76996       0.4527448     35.23929       0.6223180     34.24225       0.6598881 
1 1 1 1  5  10 o 106.0887       1.085497      108.0445       1.504893      103.9673       1.567256  
1 1 1 1  5  11 o 27.66151       0.4270406     28.16099       0.6102350     27.18217       0.5978098 
1 1 1 1  5  12 o 14.71911       0.3312215     14.98419       0.4681151     14.45335       0.4687213 
1 1 1 1  5  13 o 0.2255760      0.2522202     0.1071520      0.3550359     0.3462375      0.3583740 
1 1 1 1  5  14 o 32.12660       0.5007349     32.79665       0.7112058     31.46796       0.7051255 
1 1 1 1  5  15 o 17.61498       0.3955489     16.89859       0.5580344     18.33839       0.5607568 
1 1 1 1  5  16 f 81.83101       0.9792253     82.30920       1.386262      81.35477       1.383410  
1 1 1 1  5  17 o 58.90260       0.7759162     59.19489       1.101341      58.61453       1.093325  
1 1 1 1  5  18 o 34.84640       0.5939665     34.30700       0.8412784     35.38251       0.8387186 
1 1 1 1  5  19 o 81.12560       1.012584      82.56330       1.442305      79.72823       1.421932  
1 1 1 1  5  20 o 37.79080       0.6393135     38.92250       0.9086711     36.68146       0.8996481 
1 1 1 1  5  21 o 69.57424       0.9414726     70.62302       1.339246      68.54955       1.323776  
1 1 1 1  5  22 o 71.38628       0.9761957     71.38763       1.384368      71.38493       1.376762  
1 1 1 1  5  23 o 3.759446       0.5005248     4.041452       0.6977419     3.460486       0.7184084 
1 1 1 1  5  24 f 16.67192       0.5940996     16.68557       0.8315130     16.65768       0.8491315 
1 1 1 1  5  25 f 8.739889       0.5543193     8.382621       0.7889761     9.088155       0.7789713 
1 1 1 1  5  26 o 10.59540       0.6737537     10.57008       0.9673323     10.61927       0.9389641 
1 1 1 1  5  27 o 2.259524       0.4994209     1.817968       0.7095965     2.692939       0.7030249 
1 1 1 1  5  28 o 5.967556       0.5184749     5.589663       0.7288849     6.354606       0.7376623 
1 1 1 1  5  29 o 1.258651       0.4986096     0.6976197      0.6963892     1.848796       0.7142301 
1 1 1 1  5  30 o 1.241793       0.4896856     1.197254       0.6834177     1.288786       0.7019959 
1 1 1 1  5  31 o 1.503330       0.4908873     1.426245       0.6797391     1.587352       0.7096666 
1 1 1 1  5  32 o 1.498844       0.4894115     2.295478       0.6929964     0.7061695      0.6912717 
1 1 1 1  5  33 o 0.1310557      0.5032247     -0.1790616     0.6933823     0.4761874      0.7314795 
1 1 1 1  5  34 f -0.3726128     0.5442786     -0.3541462     0.7549276     -0.3926019     0.7854306 
1 1 1 1  5  35 o 0.7543287      0.5745845     0.7012125      0.8148449     0.8068597      0.8103442 
1 1 1 1  5  36 o 0.7698424      0.6018362     1.276427       0.8500325     0.2606449      0.8522215 
1 1 1 1  6  0  o 1.060000       0.1999875     1.060000       0.1414125     ?              ?         
1 1 1 1  6  1  o 28.82029       0.3620377     28.15223       0.4905024     29.61980       0.5365939 
1 1 1 1  6  2  o 24.59963       0.3156859     26.00766       0.4534395     23.27523       0.4397689 
1 1 1 1  6  3  o 162.8086       1.389749      161.1849       2.017970      164.2735       1.916738  
1 1 1 1  6  4  o 313.4654       2.358148      305.8698       3.322533      321.1754       3.347456  
1 1 1 1  6  5  o 191.9270       1.587380      187.9636       2.231941      195.9837       2.258077  
1 1 1 1  6  6  o 129.9347       1.160179      130.6927       1.645974      129.1862       1.635558  
1 1 1 1  6  7  o 451.2708       3.327641      454.9910       4.727042      447.6162       4.685226  
1 1 1 1  6  8  o 6.686242       0.2101511     7.267501       0.3067876     6.172371       0.2884558 
1 1 1 1  6  9  o 82.26943       0.8620539     82.37779       1.218722      82.16092       1.219535  
1 1 1 1  6  10 f 127.5349       1.259437      123.9047       1.757586      131.3662       1.805612  
1 1 1 1  6  11 o 69.47232       0.7903003     68.84882       1.082196      70.18480       1.156841  
1 1 1 1  6  12 o 11.25697       0.3044928     11.62154       0.4157588     10.83518       0.4471930 
1 1 1 1  6  13 o 49.59412       0.6533215     49.38568       0.9248013     49.80178       0.9230734 
1 1 1 1  6  14 o 5.555826       0.3092236     5.510955       0.4398476     5.599676       0.4348123 
1 1 1 1  6  15 o 39.64041       0.5884082     40.58689       0.8401787     38.72932       0.8243179 
1 1 1 1  6  16 o 127.7653       1.414082      129.3282       2.007783      126.2270       1.991939  
1 1 1 1  6  17 o 0.1621019      0.3484871     0.8444329E-01  0.4865136     0.2439322      0.4994098 
1 1 1 1  6  18 f 16.23692       0.4476657     17.05736       0.6374943     15.43875       0.6287854 
1 1 1 1  6  19 o 17.17142       0.4825452     17.21422       0.6804870     17.12813       0.6843737 
1 1 1 1  6  20 o 55.41895       0.8019143     55.71436       1.138707      55.12828       1.129505  
1 1 1 1  6  21 o 24.59029       0.5770265     24.81552       0.8162401     24.36528       0.8158375 
1 1 1 1  6  22 o 9.253656       0.5051274     8.625758       0.7176427     9.870189       0.7111181 
1 1 1 1  6  23 o 40.23670       0.7455659     39.66019       1.045190      40.83397       1.063836  
1 1 1 1  6  24 o 6.711427       0.5462889     5.903222       0.7588862     7.580667       0.7870201 
1 1 1 1  6  25 o 0.4276134      0.5199429     0.8507352      0.7272581     -0.1478042E-01 0.7436360 
1 1 1 1  6  26 o 12.56167       0.5627658     12.43911       0.8050299     12.67880       0.7870179 
1 1 1 1  6  27 o 5.434469       0.5206360     5.294935       0.7266808     5.581636       0.7462917 
1 1 1 1  6  28 o 5.423717       0.5071649     5.279445       0.7200398     5.565765       0.7144716 
1 1 1 1  6  29 o 1.476964       0.4754998     1.646235       0.6634050     1.298126       0.6818925 
1 1 1 1  6  30 f -0.1686085     0.4777105     -0.8592329     0.6881567     0.4737556      0.6636774 
1 1 1 1  6  31 o 1.199794       0.4773045     1.021905       0.6617846     1.392649       0.6890623 
1 1 1 1  6  32 f 1.502191       0.4930309     1.189681       0.6790900     1.850519       0.7169515 
1 1 1 1  6  33 o 0.9398760      0.5148884     0.2432894      0.7029001     1.746451       0.7563597 
1 1 1 1  6  34 f 0.7103841      0.5491240     0.8477358      0.7622157     0.5621687      0.7917854 
1 1 1 1  6  35 o 1.307244       0.5770254     1.216674       0.8066284     1.402166       0.8257831 
1 1 1 1  6  36 o -0.6902172     0.6046686     -0.2639545     0.8535375     -1.119677      0.8567323 
1 1 1 1  7  0  o 439.7333       4.994137      439.7333       3.531388      ?              ?         
1 1 1 1  7  1  o 455.0525       3.514698      452.9597       4.831450      457.4049       5.122364  
1 1 1 1  7  2  o 190.4644       1.733068      192.7419       2.393517      187.9545       2.512681  
1 1 1 1  7  3  o 141.0709       1.275440      140.4776       1.859093      141.5985       1.753062  
1 1 1 1  7  4  o 187.1627       1.615221      192.1190       2.382518      182.9472       2.197249  
1 1 1 1  7  5  f 32.33518       0.3904790     31.29716       0.5475777     33.40916       0.5569839 
1 1 1 1  7  6  f 431.6627       3.264230      435.0636       4.609190      428.2406       4.623481  
1 1 1 1  7  7  f 55.10841       0.5894614     55.33242       0.8347169     54.88557       0.8325360 
1 1 1 1  7  8  f 20.68423       0.3194018     20.56509       0.4513854     20.80370       0.4520200 
1 1 1 1  7  9  o 116.6197       1.140779      116.1866       1.652711      117.0139       1.576589  
1 1 1 1  7  10 o 41.98354       0.5307428     41.00979       0.7436866     42.99426       0.7576761 
1 1 1 1  7  11 o 372.9442       3.151372      377.7349       4.478426      368.2453       4.435313  
1 1 1 1  7  12 o 203.0611       1.925492      199.0530       2.689140      207.2779       2.758290  
1 1 1 1  7  13 o 65.33373       0.7581385     64.44196       1.068409      66.23817       1.075970  
1 1 1 1  7  14 o 41.36385       0.5826391     40.39203       0.7931941     42.50266       0.8586446 
1 1 1 1  7  15 o 50.34392       0.7112874     52.69648       0.9834491     47.76343       1.029989  
1 1 1 1  7  16 o 8.743083       0.3715457     8.442794       0.5180147     9.061240       0.5332045 
1 1 1 1  7  17 o 21.65127       0.4870300     21.39752       0.6881604     21.90591       0.6893702 
1 1 1 1  7  18 o 38.00294       0.6268053     38.89302       0.8910444     37.13105       0.8818995 
1 1 1 1  7  19 o 13.49283       0.4575814     13.20257       0.6512300     13.77587       0.6430826 
1 1 1 1  7  20 o 19.39385       0.5231814     18.88590       0.7392294     19.90363       0.7405530 
1 1 1 1  7  21 o 20.68724       0.5623608     21.70620       0.8014552     19.69899       0.7892811 
1 1 1 1  7  22 o 4.791196       0.4952947     4.826497       0.7087416     4.757499       0.6924475 
1 1 1 1  7  23 o 5.434140       0.5246344     5.672969       0.7303277     5.179487       0.7541349 
1 1 1 1  7  24 o 7.961071       0.5398049     7.521760       0.7636980     8.399695       0.7631013 
1 1 1 1  7  25 o 19.04931       0.6069117     18.58634       0.8519443     19.52636       0.8648058 
1 1 1 1  7  26 o 0.9491335E-01  0.4982988     0.1008275      0.6912820     0.8851660E-01  0.7189329 
1 1 1 1  7  27 o 5.169987       0.5211401     5.314506       0.7646370     5.044622       0.7121643 
1 1 1 1  7  28 o 2.202103       0.4768773     2.306794       0.6751699     2.097884       0.6736453 
1 1 1 1  7  29 f 1.673640       0.4745059     1.552447       0.6801215     1.788577       0.6623372 
1 1 1 1  7  30 o 0.8939222      0.4785705     0.7725442      0.6758720     1.015970       0.6777337 
1 1 1 1  7  31 o 2.940134       0.4851862     2.491405       0.6787133     3.409102       0.6938509 
1 1 1 1  7  32 o 1.156672       0.5074061     1.229645       0.7070296     1.079174       0.7286182 
1 1 1 1  7  33 o 0.4774957      0.5333457     0.3680229      0.7354980     0.5989007      0.7745455 
1 1 1 1  7  34 o 1.239250       0.5535487     1.087728       0.7750912     1.396983       0.7908179 
1 1 1 1  7  35 f 1.542377       0.5915516     1.101693       0.8282254     2.001301       0.8451931 
1 1 1 1  7  36 o 0.1257455      0.6025057     1.403170       0.8483931     -1.174078      0.8557987 
1 1 1 1  8  0  o 880.6849       9.287501      880.6849       6.567255      ?              ?         
1 1 1 1  8  1  o 103.6340       1.061781      102.4927       1.448330      104.9602       1.561184  
1 1 1 1  8  2  o 586.9887       4.503722      587.4643       6.164993      586.4444       6.595200  
1 1 1 1  8  3  o 113.5622       1.127194      109.7728       1.573888      117.5526       1.615098  
1 1 1 1  8  4  o 17.62992       0.2961408     18.34257       0.4389465     17.03455       0.4012062 
1 1 1 1  8  5  o 26.00354       0.3635859     24.63222       0.5258799     27.25933       0.5032429 
1 1 1 1  8  6  o 48.28306       0.5377873     45.38259       0.7470747     51.40260       0.7747735 
1 1 1 1  8  7  o 363.9732       2.908315      359.1191       4.106584      368.8576       4.119403  
1 1 1 1  8  8  o 177.6102       1.599132      180.4269       2.275817      174.8631       2.247478  
1 1 1 1  8  9  f 98.95670       0.9804620     97.90308       1.386199      100.0115       1.386967  
1 1 1 1  8  10 o 65.93141       0.7284653     66.68379       1.063347      65.26603       0.9999810 
1 1 1 1  8  11 o 5.778226       0.2655514     5.117055       0.3879687     6.361013       0.3642456 
1 1 1 1  8  12 o 9.299272       0.3096168     9.933137       0.4414569     8.685629       0.4343578 
1 1 1 1  8  13 o 333.9534       2.996866      335.7370       4.235672      332.1656       4.240748  
1 1 1 1  8  14 o 74.60105       0.8840636     74.50853       1.281039      74.68519       1.221588  
1 1 1 1  8  15 o 102.4789       1.117545      102.6760       1.576547      102.2798       1.584376  
1 1 1 1  8  16 o 3.781448       0.3388727     3.473820       0.4814138     4.083578       0.4770923 
1 1 1 1  8  17 o 75.75535       0.9337966     78.01683       1.288211      73.25130       1.355536  
1 1 1 1  8  18 o 17.39910       0.4630106     16.70763       0.6263685     18.23209       0.6874819 
1 1 1 1  8  19 o 70.82169       0.9435244     71.91325       1.345546      69.76574       1.323419  
1 1 1 1  8  20 o 12.27903       0.4962316     12.41834       0.6951838     12.13432       0.7085625 
1 1 1 1  8  21 f 28.29593       0.6308289     27.62209       0.8786681     29.01269       0.9062234 
1 1 1 1  8  22 o 24.05662       0.6193107     24.01017       0.8698567     24.10437       0.8819436 
1 1 1 1  8  23 o 9.182875       0.5554399     9.998558       0.7799364     8.343448       0.7912062 
1 1 1 1  8  24 o 5.429985       0.5340793     5.098132       0.7603278     5.753206       0.7503749 
1 1 1 1  8  25 o 1.772027       0.5108160     2.511656       0.7400935     1.099120       0.7059231 
1 1 1 1  8  26 o 1.876913       0.4985354     2.264238       0.7232185     1.526231       0.6881584 
1 1 1 1  8  27 o 1.394262       0.4791530     2.290310       0.6821539     0.5216236      0.6731845 
1 1 1 1  8  28 o 0.5619972      0.4696153     0.5467086      0.6673394     0.5769957      0.6609787 
1 1 1 1  8  29 o 2.088080       0.4820499     1.906023       0.6753618     2.277161       0.6882645 
1 1 1 1  8  30 f 1.084244       0.4804977     1.303079       0.6806695     0.8668737      0.6783889 
1 1 1 1  8  31 o 2.311451       0.5109417     0.8310206      0.7328708     3.711560       0.7127123 
1 1 1 1  8  32 o -0.3066659     0.4995143     -0.9427952     0.7015589     0.3474044      0.7113833 
1 1 1 1  8  33 o 0.3536886      0.5378767     1.191744       0.7425849     -0.5713000     0.7801498 
1 1 1 1  8  34 o 0.7440599      0.5550959     0.4114162      0.7754555     1.093644       0.7949559 
1 1 1 1  8  35 o 0.6068843      0.5812514     0.8037338      0.8183920     0.4065113      0.8256838 
1 1 1 1  8  36 o 0.1780831      1.086418      0.6041930      1.725195      -0.1019502     1.398564  
1 1 1 1  9  0  o 0.5159941      0.3386732     0.5159941      0.2394781     ?              ?         
1 1 1 1  9  1  o 72.76096       0.8120275     73.81563       1.118940      71.58749       1.180274  
1 1 1 1  9  2  o 152.4002       1.516984      149.1268       2.064606      156.2408       2.236350  
1 1 1 1  9  3  o 42.51074       0.5446439     41.37067       0.7395518     43.86186       0.8051019 
1 1 1 1  9  4  o 82.02610       0.8477969     82.71327       1.236345      81.41618       1.164784  
1 1 1 1  9  5  o 114.0813       1.125718      112.6052       1.633395      115.4167       1.553611  
1 1 1 1  9  6  o 105.2714       1.024653      107.6405       1.460997      102.9780       1.437447  
1 1 1 1  9  7  o 452.4722       3.542325      452.1101       5.015279      452.8326       5.003950  
1 1 1 1  9  8  o 276.1719       2.347417      276.4049       3.313363      275.9372       3.326171  
1 1 1 1  9  9  o 233.7120       2.059181      233.3003       2.917007      234.1209       2.907260  
1 1 1 1  9  10 o 171.0895       1.579597      169.4756       2.227807      172.7211       2.240019  
1 1 1 1  9  11 o 217.7265       2.011401      218.6115       2.909745      216.9167       2.783551  
1 1 1 1  9  12 o 61.06028       0.7147807     59.75137       1.031938      62.26741       0.9910091 
1 1 1 1  9  13 f 171.8938       1.713738      171.3769       2.420948      172.4130       2.426245  
1 1 1 1  9  14 o 67.63362       0.8110408     70.28639       1.158337      65.08236       1.135960  
1 1 1 1  9  15 o 10.87928       0.3789873     11.46436       0.5356361     10.29274       0.5363025 
1 1 1 1  9  16 f 21.02069       0.4649491     20.53851       0.6511716     21.52220       0.6640935 
1 1 1 1  9  17 o 11.50426       0.4056112     11.11127       0.5629336     11.92857       0.5849408 
1 1 1 1  9  18 o 20.60793       0.4789674     21.59246       0.6855106     19.66886       0.6694977 
1 1 1 1  9  19 o 16.88657       0.4728225     16.76194       0.6683667     17.01144       0.6689778 
1 1 1 1  9  20 o 11.83756       0.4830080     12.02496       0.6552293     11.61453       0.7148052 
1 1 1 1  9  21 f 0.7685879      0.4637138     0.3139269      0.6115410     1.383654       0.7112834 
1 1 1 1  9  22 o 4.917599       0.5299822     5.304037       0.7506893     4.533584       0.7483323 
1 1 1 1  9  23 o 0.6433167      0.5204794     0.8806598      0.7321122     0.4007724      0.7400908 
1 1 1 1  9  24 o 9.460020       0.5530645     9.189258       0.7619661     9.761501       0.8040306 
1 1 1 1  9  25 o 6.430232       0.5407131     5.499080       0.7631140     7.369086       0.7662634 
1 1 1 1  9  26 o 1.186723       0.4896431     1.579409       0.6950628     0.7998659      0.6898859 
1 1 1 1  9  27 o 4.686072       0.5039032     4.811467       0.7046060     4.554800       0.7209279 
1 1 1 1  9  28 o 3.201368       0.4741160     3.526723       0.6651642     2.865357       0.6759689 
1 1 1 1  9  29 o -0.1728586E-01 0.4696163     0.1245052E-03  0.6573790     -0.3543110E-01 0.6711093 
1 1 1 1  9  30 o 0.1766790      0.4685547     0.2762509E-01  0.6492810     0.3386602      0.6768515 
1 1 1 1  9  31 f -0.4525957     0.4854784     -0.5096790     0.6743373     -0.3911738     0.6994938 
1 1 1 1  9  32 o -0.1623554     0.5103332     0.1199183      0.7092644     -0.4653667     0.7348561 
1 1 1 1  9  33 o -0.6910648     0.5431610     -1.181295      0.7547429     -0.1643975     0.7822888 
1 1 1 1  9  34 o 0.5482199      0.5615644     0.4141850      0.7883278     0.6863044      0.8001481 
1 1 1 1  9  35 o 0.3936884      0.5960130     0.6112785      0.8296874     0.1616761      0.8567429 
1 1 1 1  10 0  o 3.144546       0.3932687     3.144546       0.2780830     ?              ?         
1 1 1 1  10 1  o 118.4913       1.280730      113.5261       1.781640      123.8005       1.842334  
1 1 1 1  10 2  o 4.285856       0.2692598     4.366368       0.3582190     4.181284       0.4082489 
1 1 1 1  10 3  o 91.38306       0.9985998     91.74383       1.368252      90.97186       1.460748  
1 1 1 1  10 4  o 65.60339       0.7215455     66.23555       1.049911      65.03760       0.9932806 
1 1 1 1  10 5  o 104.8982       1.065153      102.1078       1.536731      107.4783       1.477710  
1 1 1 1  10 6  o 177.4724       1.651968      174.1954       2.385803      180.4906       2.289634  
1 1 1 1  10 7  o 9.522993       0.2843935     10.47841       0.4080755     8.620749       0.3965580 
1 1 1 1  10 8  f 179.0509       1.652940      180.7138       2.339503      177.3934       2.335723  
1 1 1 1  10 9  f 19.78590       0.4054791     18.82590       0.5980989     20.60240       0.5515888 
1 1 1 1  10 10 o 38.27576       0.5083876     37.75174       0.7189683     38.79979       0.7189688 
1 1 1 1  10 11 o 24.07257       0.4071992     22.81140       0.5710250     25.37744       0.5808337 
1 1 1 1  10 12 o 117.2274       1.204945      114.7287       1.737960      119.5401       1.672050  
1 1 1 1  10 13 o 124.1668       1.274794      127.5011       1.868284      121.2621       1.743808  
1 1 1 1  10 14 o 21.03362       0.4430441     20.63089       0.6248510     21.44078       0.6282811 
1 1 1 1  10 15 o 136.6409       1.451329      136.1258       2.046820      137.1618       2.058204  
1 1 1 1  10 16 o 22.75298       0.4879647     22.11735       0.6854720     23.40602       0.6947951 
1 1 1 1  10 17 o 19.70022       0.4740518     18.83992       0.6677452     20.57440       0.6731079 
1 1 1 1  10 18 o 31.24010       0.5786189     31.25893       0.8190598     31.22134       0.8175238 
1 1 1 1  10 19 o 40.42009       0.6650945     39.06561       0.9385853     41.78618       0.9425989 
1 1 1 1  10 20 f 2.929111       0.4468028     2.540199       0.6158057     3.361440       0.6492708 
1 1 1 1  10 21 o 29.92401       0.6283778     30.11380       0.8868987     29.73271       0.8904327 
1 1 1 1  10 22 o -0.8622638E-02 0.4718267     0.2267272      0.6526593     -0.2662833     0.6828945 
1 1 1 1  10 23 o 5.575933       0.4922664     4.235120       0.6894957     6.969947       0.7030416 
1 1 1 1  10 24 o 4.299691       0.4963415     3.821984       0.6634604     4.906866       0.7479817 
1 1 1 1  10 25 o 0.6549966      0.4747785     0.9856139      0.6527877     0.2836979      0.6917846 
1 1 1 1  10 26 o 9.309225       0.5042656     8.819596       0.6720082     9.940232       0.7628832 
1 1 1 1  10 27 o 1.452829       0.4847292     1.720985       0.6827987     1.180371       0.6882551 
1 1 1 1  10 28 o 4.833788       0.4905523     4.519669       0.6889228     5.156861       0.6986713 
1 1 1 1  10 29 o 1.446807       0.4745509     1.265678       0.6625493     1.637616       0.6800244 
1 1 1 1  10 30 f 1.099107       0.4964250     2.508815       0.6862875     -0.4479919     0.7189531 
1 1 1 1  10 31 o 0.3650118      0.4964042     0.1623661      0.6824741     0.5926595      0.7233509 
1 1 1 1  10 32 o 1.070200       0.5198154     1.864209       0.7236502     0.2237298      0.7471742 
1 1 1 1  10 33 f -0.4820565     0.5499819     -0.8940569     0.7681484     -0.4869734E-01 0.7878078 
1 1 1 1  10 34 o 1.530047       0.6208471     1.488923       0.8636391     1.574026       0.8931237 
1 1 1 1  10 35 o -0.2678393     0.5945299     -0.1473277     0.8261964     -0.3972596     0.8561902 
1 1 1 1  11 0  o 276.4961       3.816779      276.4961       2.698870      ?              ?         
1 1 1 1  11 1  o 173.7302       1.795896      171.2900       2.524973      176.2284       2.554852  
1 1 1 1  11 2  f 334.0916       3.041302      337.0660       4.179749      330.7451       4.433567  
1 1 1 1  11 3  f 126.7734       1.328312      125.6104       1.811200      128.1270       1.953944  
1 1 1 1  11 4  o 0.7610102      0.2646852     1.342453       0.3754667     0.1866084      0.3731864 
1 1 1 1  11 5  o 139.0887       1.361928      137.6291       1.971149      140.4220       1.883924  
1 1 1 1  11 6  o 30.14756       0.4511577     31.33075       0.6676638     29.15334       0.6120273 
1 1 1 1  11 7  f 10.94967       0.3249964     9.932465       0.4780737     11.82365       0.4431402 
1 1 1 1  11 8  o 24.90343       0.4103307     25.27375       0.5789200     24.52958       0.5816802 
1 1 1 1  11 9  o 40.78358       0.5295104     39.41471       0.7449737     42.18125       0.7527686 
1 1 1 1  11 10 o 33.52419       0.4846109     32.05767       0.6779247     35.05670       0.6930109 
1 1 1 1  11 11 o 55.96605       0.6708663     56.17305       0.9513050     55.76126       0.9462118 
1 1 1 1  11 12 o 20.45306       0.4019583     20.46736       0.5693262     20.43885       0.5675875 
1 1 1 1  11 13 o 2.439054       0.3304476     3.137719       0.4923784     1.866473       0.4457412 
1 1 1 1  11 14 o 155.8647       1.572734      153.6120       2.269134      157.9473       2.181798  
1 1 1 1  11 15 f 57.26500       0.7639654     58.25406       1.089998      56.30999       1.071071  
1 1 1 1  11 16 o 29.32386       0.5483309     28.03992       0.7713262     30.63567       0.7796549 
1 1 1 1  11 17 o 34.17592       0.6007010     34.03465       0.8484099     34.31793       0.8506337 
1 1 1 1  11 18 o 28.43298       0.5786937     28.65360       0.8110676     28.20419       0.8259277 
1 1 1 1  11 19 o 8.187290       0.4644403     7.586588       0.6472228     8.824983       0.6668525 
1 1 1 1  11 20 o 22.55416       0.5742823     22.57308       0.8031614     22.53437       0.8214636 
1 1 1 1  11 21 o 5.036450       0.5189523     4.319537       0.7525913     5.686347       0.7165529 
1 1 1 1  11 22 f 20.17114       0.5690622     18.77717       0.7985430     21.60950       0.8111562 
1 1 1 1  11 23 o 1.501760       0.4772156     1.370211       0.6556701     1.649944       0.6958941 
1 1 1 1  11 24 o 1.278787       0.4563265     1.411135       0.6417748     1.143455       0.6489717 
1 1 1 1  11 25 o 2.624755       0.4635947     3.043180       0.6279902     2.123629       0.6872545 
1 1 1 1  11 26 f -0.3042758E-01 0.4451163     0.5659372      0.6372494     -0.5986034     0.6220063 
1 1 1 1  11 27 f 1.555224       0.4358319     2.203876       0.6089514     0.8740186      0.6240445 
1 1 1 1  11 28 f 2.225448       0.4483453     2.493473       0.6113905     1.913635       0.6594449 
1 1 1 1  11 29 o 1.607752       0.4603064     1.380684       0.6219423     1.882785       0.6844861 
1 1 1 1  11 30 o 0.1415067      0.4583653     0.1307345      0.6211076     0.1543897      0.6792387 
1 1 1 1  11 31 o 0.1955664      0.4868849     0.2434567      0.6416933     0.1305873      0.7474648 
1 1 1 1  11 32 o 0.4211258      0.5409905     0.9646446      0.7684124     -0.1130552     0.7617830 
1 1 1 1  11 33 o 0.1868678      0.5643301     0.5333293      0.7880722     -0.1777751     0.8084857 
1 1 1 1  11 34 o 0.7905971      0.5829167     0.6430825      0.8328145     0.9322758      0.8161750 
1 1 1 1  12 0  o 292.5437       4.034150      292.5437       2.852575      ?              ?         
1 1 1 1  12 1  o 140.2501       1.527213      140.7449       2.158459      139.7540       2.161153  
1 1 1 1  12 2  f 64.29716       0.7872837     66.39105       1.085612      61.97438       1.143409  
1 1 1 1  12 3  o 95.98125       1.071260      97.18909       1.471882      94.62075       1.562123  
1 1 1 1  12 4  f 80.85526       0.9057609     79.41639       1.269209      82.34857       1.293001  
1 1 1 1  12 5  o 48.41773       0.6270164     49.46856       0.8900107     47.38223       0.8834954 
1 1 1 1  12 6  o 110.6289       1.145950      111.0273       1.670212      110.2745       1.575194  
1 1 1 1  12 7  o 36.42623       0.5222997     37.19577       0.7768408     35.79140       0.7055776 
1 1 1 1  12 8  o 250.4525       2.293763      251.4910       3.226975      249.3920       3.261035  
1 1 1 1  12 9  o 259.9648       2.350653      265.1307       3.345616      254.9284       3.303435  
1 1 1 1  12 10 o 287.1529       2.576794      284.7706       3.632517      289.5660       3.655869  
1 1 1 1  12 11 f 124.1935       1.255134      125.5806       1.785454      122.8383       1.764782  
1 1 1 1  12 12 o 38.81631       0.5624079     38.41075       0.7938145     39.22506       0.7969242 
1 1 1 1  12 13 o 46.44983       0.6284350     46.11869       0.8910688     46.77753       0.8864317 
1 1 1 1  12 14 o 8.552672       0.3910100     8.621447       0.5709668     8.491933       0.5365773 
1 1 1 1  12 15 o 71.81370       0.9034750     73.66743       1.288747      70.02214       1.266945  
1 1 1 1  12 16 o 30.38449       0.5797763     30.32270       0.8209728     30.44597       0.8188862 
1 1 1 1  12 17 o 7.011545       0.4424386     6.681846       0.6132074     7.369556       0.6389943 
1 1 1 1  12 18 o 65.08638       0.8858864     65.43078       1.264248      64.75414       1.241721  
1 1 1 1  12 19 f 28.21704       0.6194868     29.42972       0.8870317     27.06241       0.8655370 
1 1 1 1  12 20 o 6.816567       0.4920443     6.828809       0.6914631     6.804009       0.7003332 
1 1 1 1  12 21 o 10.14149       0.5213935     10.51328       0.7219461     9.736153       0.7538090 
1 1 1 1  12 22 o 5.469344       0.4873292     4.854874       0.6851798     6.098403       0.6932663 
1 1 1 1  12 23 o 7.397719       0.4946710     6.466846       0.6940097     8.359035       0.7052671 
1 1 1 1  12 24 f 0.7330279      0.4481284     0.4432140      0.6363769     1.018104       0.6311539 
1 1 1 1  12 25 o 4.469463       0.4618255     5.122977       0.6613507     3.847499       0.6451888 
1 1 1 1  12 26 o 1.952657       0.4402682     1.824858       0.6163269     2.085824       0.6291373 
1 1 1 1  12 27 o 1.281287       0.4351408     1.697985       0.6088364     0.8461738      0.6221434 
1 1 1 1  12 28 o 0.1932555E-01  0.4308621     0.6010190      0.5921918     -0.6349458     0.6280501 
1 1 1 1  12 29 o 0.5705997      0.4585455     0.6171318      0.6406567     0.5217229      0.6565996 
1 1 1 1  12 30 o -0.6482161     0.4559251     -0.2068042     0.6350176     -1.117841      0.6549973 
1 1 1 1  12 31 o 0.3128799      0.4897792     0.1549373      0.6842861     0.4787902      0.7013334 
1 1 1 1  12 32 o 1.328477       0.5117468     0.9854529      0.7185741     1.681505       0.7289765 
1 1 1 1  12 33 f 0.8090678      0.5471563     1.922042       0.7767785     -0.2869745     0.7708473 
1 1 1 1  12 34 o 0.1217425      0.5557262     0.4096830      0.7787042     -0.1771166     0.7933310 
1 1 1 1  13 0  o 2.354740       0.5167014     2.354740       0.3653631     ?              ?         
1 1 1 1  13 1  o 221.3218       2.283569      221.9501       3.229770      220.6937       3.229140  
1 1 1 1  13 2  o 375.9583       3.516884      381.4648       4.837741      369.7864       5.121642  
1 1 1 1  13 3  o 85.28909       0.9910639     86.50705       1.362076      83.91882       1.444725  
1 1 1 1  13 4  o 22.69569       0.4428647     22.75280       0.6146922     22.63406       0.6386026 
1 1 1 1  13 5  o 171.4441       1.721515      171.9630       2.430552      170.9217       2.438648  
1 1 1 1  13 6  o 126.5609       1.340605      127.7712       1.901226      125.3641       1.890624  
1 1 1 1  13 7  o 289.7029       2.668903      291.1106       3.883893      288.4435       3.673671  
1 1 1 1  13 8  o 144.6320       1.461075      148.0923       2.148621      141.6556       1.992718  
1 1 1 1  13 9  o 101.2337       1.056827      98.89337       1.487974      103.6161       1.501273  
1 1 1 1  13 10 o 16.37626       0.4127793     15.75144       0.5885130     16.98128       0.5791167 
1 1 1 1  13 11 o 14.08310       0.3957647     14.46936       0.5673501     13.71700       0.5523432 
1 1 1 1  13 12 f 2.836769       0.3565904     3.556237       0.5072942     2.134067       0.5013484 
1 1 1 1  13 13 o 11.56645       0.4063683     11.10801       0.5794462     12.01015       0.5700521 
1 1 1 1  13 14 o 9.679079       0.4061237     10.10195       0.5790812     9.269758       0.5697244 
1 1 1 1  13 15 o 3.666263       0.4006583     3.543691       0.5840374     3.775229       0.5506667 
1 1 1 1  13 16 o 38.54745       0.6648256     39.04078       0.9362947     38.04578       0.9441655 
1 1 1 1  13 17 o 24.69669       0.5759904     24.97016       0.8047017     24.40938       0.8248177 
1 1 1 1  13 18 o 15.43857       0.5363169     16.07784       0.7556065     14.78953       0.7613597 
1 1 1 1  13 19 o 12.62162       0.5242045     13.41800       0.7325419     11.78581       0.7504569 
1 1 1 1  13 20 o 29.49545       0.6342584     29.19877       0.8879085     29.80457       0.9063289 
1 1 1 1  13 21 o 19.99568       0.5775504     19.71426       0.8202490     20.27238       0.8133537 
1 1 1 1  13 22 o 8.736121       0.4982286     8.575644       0.6991332     8.901719       0.7102004 
1 1 1 1  13 23 o 0.8053770      0.4582162     1.185599       0.6540242     0.4388139      0.6421695 
1 1 1 1  13 24 o 2.525210       0.4595223     2.494758       0.6471375     2.556180       0.6526226 
1 1 1 1  13 25 o 1.940599       0.4503185     2.641089       0.6439841     1.270326       0.6299412 
1 1 1 1  13 26 o 0.8738909E-01  0.4293875     -1.062169      0.6016835     1.280459       0.6129647 
1 1 1 1  13 27 o 2.599013       0.4439075     2.219796       0.6160519     3.008548       0.6402047 
1 1 1 1  13 28 o 4.419841       0.4703381     4.014347       0.6489956     4.868405       0.6825925 
1 1 1 1  13 29 o 0.8505216      0.4559271     1.224340       0.6246883     0.4244255      0.6669403 
1 1 1 1  13 30 o 0.5746471      0.4725689     0.7766320      0.6548681     0.3551786      0.6826223 
1 1 1 1  13 31 f -0.6646823     0.4947563     -0.4427356     0.6950319     -0.8926815     0.7044451 
1 1 1 1  13 32 o 0.2707203      0.5256633     0.4827597      0.7313187     0.4406668E-01  0.7561010 
1 1 1 1  13 33 o 1.126443       0.5456418     1.083299       0.7751111     1.168826       0.7682430 
1 1 1 1  14 0  o 41.95841       0.9442838     41.95841       0.6677095     ?              ?         
1 1 1 1  14 1  o 193.3398       2.077480      195.1485       2.951229      191.5632       2.924948  
1 1 1 1  14 2  o 136.3653       1.484378      138.5744       2.041671      133.8882       2.161944  
1 1 1 1  14 3  o 41.71367       0.6466683     42.44291       0.8783821     40.85068       0.9555357 
1 1 1 1  14 4  o 5.247621       0.3679914     4.943133       0.5109434     5.575790       0.5304407 
1 1 1 1  14 5  o 41.25336       0.6092523     41.50494       0.8621277     41.00238       0.8610988 
1 1 1 1  14 6  o 130.1881       1.383732      130.9330       1.955173      129.4405       1.958617  
1 1 1 1  14 7  o 68.94273       0.8278570     69.37142       1.211385      68.56707       1.133978  
1 1 1 1  14 8  o 71.38264       0.8540169     72.60619       1.255643      70.32943       1.164972  
1 1 1 1  14 9  o 24.61882       0.4975390     25.16502       0.7409627     24.17034       0.6714191 
1 1 1 1  14 10 o 8.665060       0.3918782     8.263387       0.5546865     9.065325       0.5537137 
1 1 1 1  14 11 o 4.435564       0.3835526     4.507611       0.5395517     4.361961       0.5453453 
1 1 1 1  14 12 o 14.71525       0.4392253     14.27982       0.6170843     15.16237       0.6253142 
1 1 1 1  14 13 o 7.923756       0.4101586     7.920215       0.5851288     7.927176       0.5751048 
1 1 1 1  14 14 o 17.84059       0.4786581     18.19797       0.6704449     17.46904       0.6835963 
1 1 1 1  14 15 o 18.71433       0.4917192     18.59565       0.6996693     18.83016       0.6912001 
1 1 1 1  14 16 o 49.96798       0.7462282     50.53164       1.091349      49.47304       1.022650  
1 1 1 1  14 17 f 5.717824       0.4952114     6.689248       0.7124714     4.809883       0.6887977 
1 1 1 1  14 18 o 24.80010       0.6225610     25.72707       0.8960214     23.93495       0.8656332 
1 1 1 1  14 19 o 11.03261       0.5269265     10.72299       0.7494300     11.33533       0.7410144 
1 1 1 1  14 20 o 9.592292       0.5210782     9.505392       0.7175695     9.689240       0.7579165 
1 1 1 1  14 21 o 8.497045       0.4918422     8.212666       0.6845652     8.800474       0.7071230 
1 1 1 1  14 22 o 3.403479       0.4623721     3.367292       0.6561719     3.439168       0.6516374 
1 1 1 1  14 23 o 1.687703       0.4507013     2.363109       0.6470846     1.051318       0.6281145 
1 1 1 1  14 24 o 1.924544       0.4464394     1.623301       0.6357971     2.217523       0.6270156 
1 1 1 1  14 25 o 0.6969100      0.4340197     0.6794274      0.6147034     0.7142898      0.6128938 
1 1 1 1  14 26 o 0.6339766      0.4394830     0.9977700      0.6215442     0.2702332      0.6215014 
1 1 1 1  14 27 o 0.8854183      0.4345437     0.6229900      0.6015629     1.171775       0.6283899 
1 1 1 1  14 28 o 0.5829080      0.4468288     1.084422       0.6181754     0.3420309E-01  0.6466057 
1 1 1 1  14 29 o 1.175962       0.4796437     1.907346       0.6575018     0.3440190      0.7012469 
1 1 1 1  14 30 o 0.8905662      0.6197901     1.147893       0.9114084     0.6691916      0.8453460 
1 1 1 1  14 31 o 0.8492525      0.5260327     1.559849       0.7303734     0.8336741E-01  0.7582551 
1 1 1 1  14 32 f -1.062111      0.5511785     -0.7420424     0.7627296     -1.411933      0.7973936 
1 1 1 1  14 33 o -0.2014066     0.5637581     -0.4904480     0.7753344     0.1228347      0.8211890 
1 1 1 1  15 0  o 213.3784       3.210820      213.3784       2.270392      ?              ?         
1 1 1 1  15 1  o 45.30271       0.7125390     45.07917       1.003576      45.52995       1.011840  
1 1 1 1  15 2  o 241.4468       2.466350      241.4297       3.374326      241.4663       3.613874  
1 1 1 1  15 3  o 95.61222       1.126598      95.60535       1.540032      95.62014       1.652395  
1 1 1 1  15 4  o 47.05342       0.6794371     47.40534       0.9567240     46.69534       0.9650686 
1 1 1 1  15 5  o 19.21959       0.4723825     19.82784       0.6707032     18.62087       0.6654275 
1 1 1 1  15 6  o 38.45911       0.6273790     38.87514       0.8811725     38.03140       0.8934507 
1 1 1 1  15 7  o 3.472620       0.4160205     3.026302       0.6064137     3.869433       0.5717950 
1 1 1 1  15 8  o 38.33242       0.6101320     38.17646       0.8944737     38.46812       0.8343720 
1 1 1 1  15 9  o 42.57797       0.7160472     42.68412       1.078454      42.49428       0.9575757 
1 1 1 1  15 10 o 29.58871       0.5617796     29.19045       0.8294020     29.92631       0.7636210 
1 1 1 1  15 11 o 29.29802       0.5446865     28.39520       0.7790700     30.16131       0.7618255 
1 1 1 1  15 12 o 7.432034       0.4380113     7.156759       0.6199227     7.706455       0.6189616 
1 1 1 1  15 13 o 20.08740       0.5043868     18.76499       0.7180357     21.37557       0.7086779 
1 1 1 1  15 14 o 23.06549       0.5290681     23.15162       0.7522631     22.98119       0.7442321 
1 1 1 1  15 15 o 16.73634       0.5349039     16.07853       0.7830309     17.31190       0.7324377 
1 1 1 1  15 16 f 18.28491       0.5327685     18.80284       0.7543511     17.76946       0.7525491 
1 1 1 1  15 17 o 5.203307       0.4805518     4.712018       0.7014664     5.637786       0.6596640 
1 1 1 1  15 18 f 24.47594       0.6278991     24.82650       0.8560245     24.06766       0.9238116 
1 1 1 1  15 19 o 12.22378       0.5787085     12.10429       0.8162610     12.34453       0.8205909 
1 1 1 1  15 20 o 1.119432       0.4715176     0.7605953      0.6609817     1.491248       0.6728293 
1 1 1 1  15 21 o 5.542004       0.4802792     5.481530       0.6907094     5.598614       0.6682805 
1 1 1 1  15 22 o 0.1094754      0.4400279     -0.1373551     0.6123098     0.3730870      0.6327819 
1 1 1 1  15 23 f 1.378360       0.4393074     0.8088808      0.6102896     1.990769       0.6328746 
1 1 1 1  15 24 o 0.8422989      0.4287186     1.019345       0.5979869     0.6550537      0.6149691 
1 1 1 1  15 25 o 0.3575070      0.4419304     0.7434493      0.6097118     -0.6968028E-01 0.6414644 
1 1 1 1  15 26 o 0.3000095      0.4418866     0.4772382      0.6201224     0.1171858      0.6298348 
1 1 1 1  15 27 o 0.3951945      0.4471644     0.3296551E-01  0.6108053     0.8135569      0.6564286 
1 1 1 1  15 28 o -0.6046128     0.4622446     -0.7533665     0.6520283     -0.4543121     0.6554100 
1 1 1 1  15 29 o 0.2757866      0.4893598     0.8940925      0.6833868     -0.3749326     0.7010705 
1 1 1 1  15 30 o 0.1424447      0.5326221     0.4668450      0.7525859     -0.1830881     0.7538985 
1 1 1 1  15 31 o 1.281130       0.5521423     2.363445       0.7729819     0.1536153      0.7889574 
1 1 1 1  15 32 o -0.1970265     0.5557371     -0.7269373     0.7798312     0.3497947      0.7921764 
1 1 1 1  16 0  o 600.6319       8.088391      600.6319       5.719357      ?              ?         
1 1 1 1  16 1  o 635.6625       5.982495      637.0176       8.455240      634.3039       8.465821  
1 1 1 1  16 2  o 121.9778       1.396767      123.1638       1.918600      120.6405       2.037403  
1 1 1 1  16 3  f 169.5423       1.837891      169.8655       2.521717      169.1762       2.684228  
1 1 1 1  16 4  f 171.0555       1.794303      171.0993       2.533705      171.0114       2.541369  
1 1 1 1  16 5  o 165.0414       1.746603      168.2213       2.476554      161.8945       2.463636  
1 1 1 1  16 6  o 243.1761       2.434959      244.6083       3.451679      241.7573       3.435483  
1 1 1 1  16 7  f 44.17870       0.6961227     45.14026       0.9898914     43.23794       0.9791293 
1 1 1 1  16 8  f 54.74712       0.7819260     55.31042       1.108878      54.19001       1.102768  
1 1 1 1  16 9  o 1.198443       0.4220706     0.7538373      0.6249347     1.571343       0.5723249 
1 1 1 1  16 10 o 10.74307       0.4643216     10.14095       0.6973199     11.22269       0.6223554 
1 1 1 1  16 11 f 5.905534       0.4546900     5.619928       0.6762499     6.141184       0.6142672 
1 1 1 1  16 12 f 0.2449792      0.4297480     0.3199101      0.6198015     0.1756031      0.5963855 
1 1 1 1  16 13 o 18.37974       0.5249550     18.29366       0.7485424     18.46305       0.7364036 
1 1 1 1  16 14 o 21.85013       0.5474674     21.55508       0.7801955     22.13633       0.7684106 
1 1 1 1  16 15 o 7.322270       0.7281896     42.79649       29.40568      7.300502       0.7284130 
1 1 1 1  16 16 o 8.131282       0.4978000     8.265765       0.6977350     7.991862       0.7104275 
1 1 1 1  16 17 o 2.726412       0.4694985     2.283550       0.6747184     3.142140       0.6537216 
1 1 1 1  16 18 o 6.602722       0.4934448     6.284494       0.7123560     6.896266       0.6841698 
1 1 1 1  16 19 o 12.85747       0.5248761     12.71927       0.7375614     12.99927       0.7471044 
1 1 1 1  16 20 o 6.151898       0.4914001     5.387186       0.6797002     6.989279       0.7112631 
1 1 1 1  16 21 o 2.050241       0.4605328     2.449168       0.6670691     1.686944       0.6365834 
1 1 1 1  16 22 o -0.3803509     0.4374276     -0.8696276     0.6146297     0.1218278      0.6226808 
1 1 1 1  16 23 o -0.7719857E-01 0.4353998     -0.2257653     0.5980816     0.9031741E-01  0.6350791 
1 1 1 1  16 24 o 1.292714       0.4486031     1.110156       0.6364278     1.472987       0.6324323 
1 1 1 1  16 25 o 0.1793128      0.4433049     -0.3197458E-01 0.6089417     0.4175470      0.6466078 
1 1 1 1  16 26 f -0.4002274     0.4437318     -0.1117985     0.6124078     -0.7190176     0.6438339 
1 1 1 1  16 27 f 0.9464053      0.4688208     1.674986       0.6467398     0.1395869      0.6805791 
1 1 1 1  16 28 o 0.9485220      0.4909832     0.7258664      0.7078854     1.154932       0.6815721 
1 1 1 1  16 29 o 0.5129550      0.5207409     0.4431190      0.7199799     0.5895631      0.7540809 
1 1 1 1  16 30 o 1.128876       0.5433213     1.288949       0.7715830     0.9714390      0.7652015 
1 1 1 1  16 31 o 0.6437769      0.5596133     -0.2223637     0.7764973     1.579817       0.8072221 
1 1 1 1  17 0  o 26.18930       0.9131703     26.18930       0.6457089     ?              ?         
1 1 1 1  17 1  o 88.36178       1.154055      87.32924       1.623372      89.41677       1.640929  
1 1 1 1  17 2  o 50.80480       0.7915109     50.31698       1.064814      51.40719       1.183263  
1 1 1 1  17 3  f 0.3804524      0.4984819     -0.9402250E-01 0.6652063     0.9881339      0.7528142 
1 1 1 1  17 4  o 15.18014       0.5233592     14.41409       0.7246950     16.01517       0.7566202 
1 1 1 1  17 5  o 23.45606       0.5712624     22.46497       0.8043825     24.46462       0.8114376 
1 1 1 1  17 6  o 32.05649       0.6202592     32.74500       0.8704484     31.34627       0.8840681 
1 1 1 1  17 7  o 6.093449       0.4762556     6.195366       0.6674684     5.987744       0.6797538 
1 1 1 1  17 8  o 12.04738       0.4993290     11.70261       0.7020029     12.40043       0.7103873 
1 1 1 1  17 9  o 38.93060       0.6731272     39.33643       0.9522122     38.52523       0.9516792 
1 1 1 1  17 10 o 15.28968       0.5281131     14.71615       0.7939748     15.74477       0.7072542 
1 1 1 1  17 11 o 6.694780       0.4850864     6.784959       0.7375497     6.626033       0.6439655 
1 1 1 1  17 12 o 33.36488       0.6537581     33.54103       0.9590755     33.21200       0.8935097 
1 1 1 1  17 13 o 26.17208       0.5905691     26.24117       0.8396923     26.10445       0.8307610 
1 1 1 1  17 14 o 1.486047       0.4762568     1.425908       0.6759306     1.545339       0.6711525 
1 1 1 1  17 15 o 7.471859       0.4996306     7.768095       0.7051172     7.173144       0.7080607 
1 1 1 1  17 16 o 10.66251       0.5073412     10.32368       0.7207738     10.99523       0.7142483 
1 1 1 1  17 17 o 8.602916       0.4877704     7.470794       0.6935508     9.710947       0.6861321 
1 1 1 1  17 18 o 5.108057       0.4782028     4.161303       0.7018310     5.928486       0.6533322 
1 1 1 1  17 19 o 10.38620       0.5161749     9.832827       0.7187550     10.97554       0.7417510 
1 1 1 1  17 20 o 1.809466       0.4565119     1.658530       0.6463918     1.959669       0.6448219 
1 1 1 1  17 21 o 2.024738       0.4559406     1.759646       0.6321558     2.312149       0.6582291 
1 1 1 1  17 22 o 3.262221       0.4531229     3.583278       0.6245933     2.905505       0.6583649 
1 1 1 1  17 23 o 1.865185       0.4485696     2.080739       0.6222690     1.632004       0.6472124 
1 1 1 1  17 24 o 0.9883747      0.4523479     0.4703095      0.6254177     1.556683       0.6550432 
1 1 1 1  17 25 o 0.9282043      0.4658214     1.154534       0.6886209     0.7372651      0.6324942 
1 1 1 1  17 26 o 0.2485303      0.4733935     0.4148287      0.6718081     0.8451761E-01  0.6671751 
1 1 1 1  17 27 f 0.3029650      0.4717742     0.1373838      0.6814241     0.4553985      0.6538111 
1 1 1 1  17 28 o 1.242445       0.5121660     0.6470988      0.7243776     1.837577       0.7242465 
1 1 1 1  17 29 o 1.001716       0.5319848     1.304873       0.7561221     0.7045494      0.7486144 
1 1 1 1  17 30 o 0.8719620      0.5544730     1.056546       0.7969484     0.6987820      0.7719362 
1 1 1 1  17 31 o 0.8091637      0.7685974     2.047088       1.077754      -0.4719852     1.096408  
1 1 1 1  18 0  o 93.38859       1.706825      93.38859       1.206908      ?              ?         
1 1 1 1  18 1  f 79.67675       1.084242      79.35619       1.527994      80.00185       1.538763  
1 1 1 1  18 2  o 26.65131       0.6315026     26.93496       0.8564755     26.31340       0.9348174 
1 1 1 1  18 3  o 31.01579       0.6704016     31.68561       0.9104849     30.22263       0.9907783 
1 1 1 1  18 4  o 30.61173       0.6414667     31.25486       0.9077513     29.97024       0.9065917 
1 1 1 1  18 5  o 5.675261       0.4850719     4.870100       0.6671140     6.578495       0.7065762 
1 1 1 1  18 6  o 2.332735       0.4959657     2.277639       0.6971806     2.389186       0.7056998 
1 1 1 1  18 7  o 33.41605       0.6550398     33.74664       0.9172850     33.07205       0.9357226 
1 1 1 1  18 8  o 67.53170       0.9218479     68.94349       1.305347      66.12706       1.302039  
1 1 1 1  18 9  o 18.36772       0.5706854     17.90443       0.8069059     18.83139       0.8072362 
1 1 1 1  18 10 o 3.310623       0.5109537     3.357832       0.7197623     3.262663       0.7254667 
1 1 1 1  18 11 o 5.508011       0.5038892     5.552787       0.7447844     5.470216       0.6842694 
1 1 1 1  18 12 o 2.731663       0.5394121     2.911149       0.7870996     2.572716       0.7407007 
1 1 1 1  18 13 o 11.72201       0.5391980     12.04473       0.8160532     11.47196       0.7183408 
1 1 1 1  18 14 o 6.686602       0.4866612     7.185767       0.7005605     6.221062       0.6765530 
1 1 1 1  18 15 o 5.042866       0.4867508     5.386132       0.6909093     4.704601       0.6858578 
1 1 1 1  18 16 o 32.26432       0.6311166     32.78171       0.8933130     31.74874       0.8917565 
1 1 1 1  18 17 o 14.77347       0.5138373     15.20630       0.7340735     14.35766       0.7194971 
1 1 1 1  18 18 o 14.00692       0.5097363     14.41033       0.7087864     13.57476       0.7336060 
1 1 1 1  18 19 o 1.553147       0.4514564     2.038706       0.6652344     1.138597       0.6146708 
1 1 1 1  18 20 f 1.322580       0.4627977     1.163826       0.6391527     1.497547       0.6709974 
1 1 1 1  18 21 o 2.703890       0.4630492     2.376415       0.6493059     3.042794       0.6605394 
1 1 1 1  18 22 o 0.5025421      0.4518983     0.5925462      0.6365415     0.4110873      0.6416505 
1 1 1 1  18 23 o 2.513137       0.4573355     2.214282       0.6407981     2.823399       0.6529121 
1 1 1 1  18 24 o 0.7951646      0.4629825     1.105642       0.6543730     0.4839593      0.6551399 
1 1 1 1  18 25 f 1.749615       0.4690525     2.797121       0.6614174     0.6898379      0.6652802 
1 1 1 1  18 26 o -0.4065424     0.4860802     -0.5519082     0.6896783     -0.2630639     0.6851863 
1 1 1 1  18 27 o 0.3019875      0.5070253     0.3406572      0.7273390     0.2654327      0.7071704 
1 1 1 1  18 28 o -0.1835784     0.5286626     0.1289014      0.7434874     -0.5031413     0.7518666 
1 1 1 1  18 29 o 0.4536325      0.5577852     -0.4568982E-01 0.7920943     0.9448013      0.7856006 
1 1 1 1  18 30 o -0.8014515     0.5511300     -0.7950087     0.7591782     -0.8086303     0.8013627 
1 1 1 1  19 0  o 52.21699       1.257443      52.21699       0.8891463     ?              ?         
1 1 1 1  19 1  o 36.04889       0.7323266     37.12451       0.9907656     34.75349       1.087283  
1 1 1 1  19 2  o 21.28452       0.6390849     22.18028       0.8610225     20.18562       0.9536663 
1 1 1 1  19 3  o 24.37712       0.6629122     23.99202       0.9021582     24.82909       0.9773484 
1 1 1 1  19 4  f 11.12760       17.45221      11.12760       17.45221      ?              ?         
1 1 1 1  19 5  f 14.00059       0.6900789     13.87486       1.040161      14.09943       0.9222768 
1 1 1 1  19 6  o 36.73895       0.7086555     36.37123       0.9932818     37.12016       1.011343  
1 1 1 1  19 7  o 30.65091       0.6570414     30.04651       0.9110301     31.30604       0.9484956 
1 1 1 1  19 8  f 15.17839       0.5752121     15.00902       0.8064724     15.35377       0.8206587 
1 1 1 1  19 9  o 6.382942       0.5395507     5.474987       0.7611115     7.300159       0.7649832 
1 1 1 1  19 10 o 9.317853       0.5665388     9.807248       0.7982082     8.821033       0.8042395 
1 1 1 1  19 11 o 9.816596       0.5586455     9.875284       0.7977350     9.760118       0.7825714 
1 1 1 1  19 12 o 14.83629       0.5584033     15.17952       0.8476329     14.57311       0.7422259 
1 1 1 1  19 13 o 12.47464       0.5440682     11.81386       0.8068120     13.02572       0.7368025 
1 1 1 1  19 14 o 23.08829       0.5966736     23.28592       0.8860979     22.92434       0.8070751 
1 1 1 1  19 15 f 24.26074       0.5753289     23.90620       0.8117179     24.61865       0.8155717 
1 1 1 1  19 16 o 19.14276       0.5419915     19.86374       0.7764208     18.45751       0.7569343 
1 1 1 1  19 17 o 6.974472       0.4679955     6.205683       0.6477651     7.813938       0.6768859 
1 1 1 1  19 18 o 19.18082       0.5380188     18.68635       0.7521262     19.69898       0.7699334 
1 1 1 1  19 19 o 3.096416       0.4484483     3.363863       0.6368259     2.833333       0.6316097 
1 1 1 1  19 20 o 6.015926       0.4683423     5.577825       0.6946125     6.381110       0.6341776 
1 1 1 1  19 21 o -0.9561805E-01 0.4584521     0.1296516      0.6431822     -0.3282747     0.6536427 
1 1 1 1  19 22 o 1.295549       0.4758134     1.298352       0.6647104     1.292604       0.6814036 
1 1 1 1  19 23 o 0.3422545      0.4693295     -0.1549716     0.6537951     0.8709020      0.6741364 
1 1 1 1  19 24 o 2.120327       0.4919331     1.948349       0.7129563     2.276605       0.6796361 
1 1 1 1  19 25 o 1.114185       0.4971530     0.5444233      0.7190667     1.635953       0.6881152 
1 1 1 1  19 26 o 0.8934548      0.5205929     0.9951490      0.7465208     0.7971812      0.7263525 
1 1 1 1  19 27 f 0.7366905      0.5291634     0.4480110      0.7276446     1.060737       0.7709299 
1 1 1 1  19 28 o 0.8746931      0.5275820     0.9527580      0.7360749     0.7922195      0.7565745 
1 1 1 1  19 29 o -0.1755295     0.5616499     1.151916       0.8184652     -1.356969      0.7721430 
1 1 1 1  20 0  o 7.044193       0.8647310     7.044193       0.6114571     ?              ?         
1 1 1 1  20 1  o 4.512871       0.5675578     4.227510       0.7496052     4.896216       0.8688217 
1 1 1 1  20 2  o 24.76817       0.6854181     24.97850       0.9173186     24.50232       1.031321  
1 1 1 1  20 3  o 4.053481       0.5526835     3.962172       0.7804196     4.145351       0.7828107 
1 1 1 1  20 4  f 10.83229       0.5756881     10.59760       0.8044351     11.07867       0.8242172 
1 1 1 1  20 5  f 11.95805       0.5842221     12.16466       0.8199308     11.74498       0.8326454 
1 1 1 1  20 6  o 19.21784       0.6105350     19.43182       0.8529356     18.99299       0.8743151 
1 1 1 1  20 7  o 18.20996       0.6073958     17.98692       0.8404648     18.45381       0.8787910 
1 1 1 1  20 8  o 15.51169       0.5872263     15.42367       0.8196179     15.60453       0.8417511 
1 1 1 1  20 9  o 5.546109       0.5349430     5.695768       0.7445463     5.386416       0.7690982 
1 1 1 1  20 10 f 24.31228       0.6435784     24.86644       0.8976654     23.72617       0.9231854 
1 1 1 1  20 11 o 29.48777       0.6654997     31.27825       0.9422161     27.70531       0.9401051 
1 1 1 1  20 12 o 17.64828       0.5945340     17.42238       0.8318834     17.88414       0.8500056 
1 1 1 1  20 13 o 13.66903       0.5541725     14.33212       0.7831549     13.00403       0.7842829 
1 1 1 1  20 14 o 6.962244       0.4874828     6.938732       0.7167861     6.982477       0.6649391 
1 1 1 1  20 15 o 0.8434444      0.4615155     0.8458126      0.6818585     0.8414423      0.6269557 
1 1 1 1  20 16 o 7.027190       0.4664876     7.038939       0.6619359     7.015598       0.6575124 
1 1 1 1  20 17 o 16.31429       0.5217974     16.74961       0.7251837     15.84695       0.7513792 
1 1 1 1  20 18 o 3.564126       0.4453140     3.252012       0.6301352     3.875516       0.6294037 
1 1 1 1  20 19 o 1.145999       0.4400865     0.1102799      0.6169010     2.219323       0.6280001 
1 1 1 1  20 20 o 1.321154       0.4335248     0.8233414      0.6168539     1.807020       0.6094074 
1 1 1 1  20 21 o -0.2834744     0.4810713     0.1890252      0.6824841     -0.7500761     0.6782113 
1 1 1 1  20 22 o 0.9844685      0.4912584     1.429846       0.6995575     0.5511407      0.6900291 
1 1 1 1  20 23 o -0.1134413     0.4882737     -0.5784585     0.6841486     0.3693206      0.6970796 
1 1 1 1  20 24 o 0.3713915      0.4987221     0.7765184E-01  0.7145547     0.6503907      0.6963950 
1 1 1 1  20 25 f -0.1264199     0.5181970     -0.5616074E-01 0.7446370     -0.1923971     0.7215887 
1 1 1 1  20 26 o 0.4577479      0.5307799     0.2339529      0.7478130     0.6849546      0.7534915 
1 1 1 1  20 27 o 0.8613250      0.5389064     0.6519203      0.7609032     1.072084       0.7633601 
1 1 1 1  20 28 o 1.294616       0.5646839     1.203669       0.8163716     1.378048       0.7819099 
1 1 1 1  21 0  o 4.907054       0.8554054     4.907054       0.6048630     ?              ?         
1 1 1 1  21 1  o 10.12850       0.6119690     10.48879       0.8200143     9.675596       0.9193967 
1 1 1 1  21 2  f 0.6361519      0.5673307     0.1664855      0.7457606     1.281359       0.8740864 
1 1 1 1  21 3  o 5.595409       0.5418068     5.079212       0.7927311     6.047923       0.7422214 
1 1 1 1  21 4  o 12.12767       0.5911086     11.93668       0.8380329     12.31678       0.8338900 
1 1 1 1  21 5  o 27.24972       0.6655847     27.44946       0.9398327     27.04874       0.9427318 
1 1 1 1  21 6  o 8.916134       0.5508401     9.411878       0.7760072     8.412654       0.7820390 
1 1 1 1  21 7  o 0.8456107      0.5186713     1.448824       0.7159021     0.1791670      0.7524887 
1 1 1 1  21 8  o 1.251568       0.5283970     0.8895599      0.7189034     1.676930       0.7792746 
1 1 1 1  21 9  o 4.375564       0.5257423     4.274764       0.7360610     4.480551       0.7511937 
1 1 1 1  21 10 o 12.06331       0.5452107     12.86967       0.7686509     11.24682       0.7734604 
1 1 1 1  21 11 o 2.441703       0.4986676     2.087809       0.7003237     2.805676       0.7102255 
1 1 1 1  21 12 o 0.6981025      0.4930433     1.001717       0.7031676     0.4044668      0.6915156 
1 1 1 1  21 13 o 3.231302       0.5098721     4.023076       0.7281177     2.469468       0.7142194 
1 1 1 1  21 14 o 8.579833       0.5021603     9.050159       0.7531013     8.203321       0.6738183 
1 1 1 1  21 15 o 9.308786       0.5117261     9.432631       0.7728160     9.212089       0.6828802 
1 1 1 1  21 16 f 0.3249262      0.4657508     0.4128220      0.6913475     0.2518843      0.6302292 
1 1 1 1  21 17 o 2.167654       0.4438052     3.048779       0.6240858     1.266194       0.6312460 
1 1 1 1  21 18 o 2.158558       0.4601360     2.331817       0.6555669     1.990319       0.6459997 
1 1 1 1  21 19 o 4.025084       0.4658720     4.104496       0.6595647     3.946019       0.6581226 
1 1 1 1  21 20 o 1.849770       0.4711077     1.866184       0.6800975     1.834629       0.6532094 
1 1 1 1  21 21 o 1.176753       0.4799276     0.2679411      0.7086321     1.946823       0.6523021 
1 1 1 1  21 22 f 0.5826961      0.5076621     0.4036060      0.7140266     0.7657696      0.7219236 
1 1 1 1  21 23 o 1.789001       0.5257049     0.9105022      0.7376772     2.695592       0.7493788 
1 1 1 1  21 24 o 0.2246853      0.5268864     -0.3609093     0.7552092     0.7800281      0.7354436 
1 1 1 1  21 25 o 0.4847214      0.5337676     0.1871114      0.7668933     0.7643602      0.7433786 
1 1 1 1  21 26 o 1.155520       0.5531420     1.019743       0.7972810     1.281527       0.7680588 
1 1 1 1  21 27 o -0.1222563     0.5767375     -0.2984174     0.8174422     0.5235127E-01  0.8138297 
1 1 1 1  22 0  o 35.26433       1.148340      35.26433       0.8119988     ?              ?         
1 1 1 1  22 1  o 35.81578       0.7682520     35.80951       1.031980      35.82356       1.150621  
1 1 1 1  22 2  o 29.94673       0.7284877     29.93039       0.9751558     29.96736       1.095848  
1 1 1 1  22 3  o -0.5457438     0.5324554     -0.3262919     0.7401775     -0.7810971     0.7665249 
1 1 1 1  22 4  o 8.008311       0.5634888     7.676513       0.7978095     8.338591       0.7959805 
1 1 1 1  22 5  f 16.61288       0.5842857     15.98342       0.8343130     17.21875       0.8185227 
1 1 1 1  22 6  o 11.34212       0.5676672     10.36927       0.7933304     12.36285       0.8126225 
1 1 1 1  22 7  o 10.07805       0.5663275     10.24488       0.7983962     9.909108       0.8034438 
1 1 1 1  22 8  o 17.42707       0.5902051     17.16525       0.8364561     17.68668       0.8329075 
1 1 1 1  22 9  o 15.97255       0.5789319     15.24941       0.8072719     16.73826       0.8306974 
1 1 1 1  22 10 o 20.98621       0.6110626     21.68352       0.8716824     20.31244       0.8568545 
1 1 1 1  22 11 o 18.79077       0.5975641     19.60672       0.8518564     18.00026       0.8384693 
1 1 1 1  22 12 o 14.22042       0.5654668     14.16106       0.7942643     14.28144       0.8052300 
1 1 1 1  22 13 o 3.822841       0.5193850     3.709760       0.7369859     3.934422       0.7320814 
1 1 1 1  22 14 o 1.754475       0.5049908     1.108401       0.7149276     2.397799       0.7134044 
1 1 1 1  22 15 o 2.925328       0.4871758     3.063446       0.7339782     2.816559       0.6513419 
1 1 1 1  22 16 o 6.433839       0.5112538     5.388772       0.7649636     7.277475       0.6873000 
1 1 1 1  22 17 o 2.399643       0.4950601     1.819434       0.7443597     2.859857       0.6629347 
1 1 1 1  22 19 o 0.6013937      0.4709781     0.4295441      0.6726881     0.7666367      0.6596309 
1 1 1 1  22 20 o 0.4759627      0.4836212     1.074228       0.6861310     -0.1147340     0.6817771 
1 1 1 1  22 21 o 0.9177184E-01  0.4840713     0.2438886      0.6842031     -0.6068064E-01 0.6849578 
1 1 1 1  22 22 o 0.3653136      0.4997986     0.6496889      0.7360480     0.1220111      0.6808218 
1 1 1 1  22 23 o 1.016727       0.5421349     1.002293       0.7742373     1.030613       0.7593679 
1 1 1 1  22 24 o -0.1432504     0.5475869     -0.5859756E-01 0.7820048     -0.2246904     0.7670220 
1 1 1 1  22 25 o 0.6730680      0.5656787     0.5835345      0.7914649     0.7665662      0.8087978 
1 1 1 1  23 0  o 4.920550       1.014034      4.920550       0.7170302     ?              ?         
1 1 1 1  23 1  o 5.321858       0.6098722     5.370113       0.8134086     5.259901       0.9216826 
1 1 1 1  23 2  f 16.26982       0.6462706     16.60052       0.8549474     15.82893       0.9871764 
1 1 1 1  23 3  o 19.59605       0.6391972     19.80128       0.9058894     19.39257       0.9020456 
1 1 1 1  23 4  o 16.83147       0.6293294     16.06198       0.8909760     17.59761       0.8890395 
1 1 1 1  23 5  o 2.465317       0.5607862     2.544358       0.7737240     2.377845       0.8139470 
1 1 1 1  23 6  o 1.870939       0.5122449     2.238713       0.7480857     1.546276       0.7028736 
1 1 1 1  23 7  o 3.206107       0.5422391     3.258236       0.7780682     3.156882       0.7560878 
1 1 1 1  23 8  o 5.636200       0.5415810     6.505031       0.7729852     4.798461       0.7590281 
1 1 1 1  23 9  o 7.504468       0.5422627     7.903646       0.7661216     7.103715       0.7676311 
1 1 1 1  23 10 o 0.5090314      0.5124133     0.3462059E-01  0.7472084     0.9302101      0.7040405 
1 1 1 1  23 11 o 0.1298844      0.5150427     -0.2356026     0.7228714     0.5067290      0.7340173 
1 1 1 1  23 12 o 1.303786       0.5216503     1.505786       0.7370058     1.100995       0.7384460 
1 1 1 1  23 13 o 1.254637       0.5151270     1.077139       0.7416720     1.420063       0.7160050 
1 1 1 1  23 14 o 0.5143460      0.5192635     0.2962660      0.7442164     0.7212322      0.7248648 
1 1 1 1  23 15 o 0.1620591      0.5363100     0.5659628      0.7812746     -0.1978791     0.7375284 
1 1 1 1  23 16 o 0.1427787      0.5165173     0.7831169      0.7258254     -0.5142008     0.7351963 
1 1 1 1  23 17 f 0.1136936      0.4983068     0.1892548      0.7439647     0.5221208E-01  0.6710818 
1 1 1 1  23 18 o 2.369721       0.5193451     3.166114       0.7840185     1.747043       0.6932572 
1 1 1 1  23 19 o 1.676177       0.5207105     1.395682       0.7863683     1.895201       0.6948807 
1 1 1 1  23 20 f 2.373669       0.5139487     3.252129       0.7319281     1.519250       0.7218432 
1 1 1 1  23 21 o 1.138149       0.5019820     0.5958447      0.7197996     1.651640       0.7004167 
1 1 1 1  23 22 o 0.6702743E-01  0.5273753     -0.5072473     0.7941058     0.5201604      0.7053934 
1 1 1 1  23 23 o 1.369591       0.5721530     0.9179643      0.8125502     1.813729       0.8057852 
1 1 1 1  23 24 f 1.495731       0.5653723     0.8279886      0.8065912     2.140678       0.7927041 
1 1 1 1  24 0  o -0.8851249     0.7775590     -0.8851249     0.5498173     ?              ?         
1 1 1 1  24 1  o 2.074463       0.6066290     1.904126       0.8098626     2.292206       0.9156505 
1 1 1 1  24 2  o 0.1635525      0.6031688     0.1539991      0.8021024     0.1759853      0.9150283 
1 1 1 1  24 3  o 0.3128178      0.5392038     0.8717496      0.7977399     -0.1573257     0.7316394 
1 1 1 1  24 4  o 4.259046       0.5688868     3.375719       0.7905431     5.207762       0.8192812 
1 1 1 1  24 5  o 1.563360       0.5593712     1.660672       0.7899614     1.465499       0.7921839 
1 1 1 1  24 6  o 0.9320787      0.5474631     1.614255       0.7708091     0.2376574      0.7776965 
1 1 1 1  24 7  o 2.163320       0.5439442     2.923295       0.7737746     1.420851       0.7648102 
1 1 1 1  24 8  o 3.559120       0.5419275     3.244720       0.7654935     3.875014       0.7673121 
1 1 1 1  24 9  o 2.899035       0.5166128     2.687270       0.7391712     3.101255       0.7223219 
1 1 1 1  24 10 o 1.147128       0.5341899     1.178700       0.7612545     1.116499       0.7497930 
1 1 1 1  24 11 o 4.127817       0.5452108     4.741548       0.7862926     3.559488       0.7566503 
1 1 1 1  24 12 o 1.352631       0.5307530     1.295798       0.7444333     1.411387       0.7569185 
1 1 1 1  24 13 o 1.345709       0.5294620     1.764436       0.7505736     0.9309777      0.7469839 
1 1 1 1  24 14 o 2.922282       0.5478858     4.610399       0.8013673     1.440640       0.7507613 
1 1 1 1  24 15 o 0.3462559      0.5371957     0.4304016      0.7779201     0.2695529      0.7427207 
1 1 1 1  24 16 o 0.6403663      0.5434069     1.034966       0.7697828     0.2483998      0.7672105 
1 1 1 1  24 17 o 1.246774       0.5524202     1.139388       0.8044087     1.342622       0.7599646 
1 1 1 1  24 18 o 1.061609       0.5360323     0.8849062      0.7982049     1.206754       0.7234276 
1 1 1 1  24 19 o -0.3275872     0.5433708     0.7534923      0.7945789     -1.277266      0.7447261 
1 1 1 1  24 20 o 1.423032       0.5455220     0.3535126      0.8194916     2.274120       0.7310334 
1 1 1 1  24 21 o 1.206397       0.5161535     1.072192       0.7291489     1.341194       0.7307562 
1 1 1 1  24 22 f 2.044998       0.5528909     1.649387       0.7626390     2.483275       0.8027107 
1 1 1 1  24 23 o 1.765559       0.5654331     0.8731319      0.8360550     2.517845       0.7676089 
1 1 1 1  25 0  o 3.079922       0.8128101     3.079922       0.5747436     ?              ?         
1 1 1 1  25 1  o -0.4852086     0.5899548     -0.2272499     0.7802567     -0.8295242     0.9014484 
1 1 1 1  25 2  o 1.644827       0.5651387     2.185751       0.8159071     1.145981       0.7835294 
1 1 1 1  25 3  o 7.533674       0.6021436     6.847673       0.8492789     8.227093       0.8538588 
1 1 1 1  25 4  o 8.193009       0.5903911     8.450729       0.8347119     7.935008       0.8351665 
1 1 1 1  25 5  o 3.250690       0.5741470     3.081670       0.8089830     3.422228       0.8149834 
1 1 1 1  25 6  o 4.499751       0.5783576     5.226809       0.8190289     3.776613       0.8168178 
1 1 1 1  25 7  o 6.201232       0.5592074     6.683444       0.8134263     5.769095       0.7700340 
1 1 1 1  25 8  o 6.524302       0.5680941     7.186423       0.8097993     5.882685       0.7971625 
1 1 1 1  25 9  o 0.4445338      0.5644674     0.3634208      0.8026740     0.5238937      0.7939525 
1 1 1 1  25 10 o 1.441484       0.5552163     0.8695472E-01  0.7888864     2.770950       0.7815538 
1 1 1 1  25 11 o 6.727211       0.5789313     5.761447       0.8240769     7.668323       0.8134908 
1 1 1 1  25 12 o 6.249783       0.5763409     6.099973       0.8041169     6.408041       0.8264813 
1 1 1 1  25 13 o 3.098897       0.5808516     2.629830       0.8075343     3.601745       0.8361071 
1 1 1 1  25 14 o 0.3998510      0.5587524     -0.4708847     0.7893270     1.274428       0.7910663 
1 1 1 1  25 15 o 0.8766667      0.5617766     0.8608513      0.7918801     0.8926910      0.7970898 
1 1 1 1  25 16 o -0.5023243     0.5726644     0.1747262E-01  0.8229681     -0.9902972     0.7973775 
1 1 1 1  25 17 f 1.785470       0.5711354     1.823475       0.8173030     1.749199       0.7984422 
1 1 1 1  25 18 o 1.962604       0.6069857     2.387345       0.8479341     1.516210       0.8692787 
1 1 1 1  25 19 o 3.159110       0.5659457     2.885108       0.8346745     3.392279       0.7699713 
1 1 1 1  25 20 o 1.831785       0.5700299     1.900869       0.8738785     1.780620       0.7520560 
1 1 1 1  25 21 o 1.229275       0.5646040     1.562261       0.8400584     0.9549337      0.7625046 
1 1 1 1  26 0  o 3.309356       0.7987629     3.309356       0.5648106     ?              ?         
1 1 1 1  26 1  o 8.882391       0.6640837     8.784716       0.8892522     9.005547       0.9985303 
1 1 1 1  26 2  o 14.84733       0.6602755     14.54611       0.9497778     15.12907       0.9185464 
1 1 1 1  26 3  o 14.15462       0.6537111     13.78774       0.9377828     14.50141       0.9117415 
1 1 1 1  26 4  o 4.811370       0.6254133     5.335183       0.8827310     4.283413       0.8862153 
1 1 1 1  26 5  o 3.004235       0.6003810     2.753816       0.8510571     3.252326       0.8470908 
1 1 1 1  26 6  o 0.2248216      0.5576918     0.8853959      0.7875730     -0.4395310     0.7898222 
1 1 1 1  26 7  f 0.8667519      0.5702783     1.197349       0.7930396     0.5127257      0.8206599 
1 1 1 1  26 8  o 2.263586       0.5737776     2.319095       0.8112891     2.208035       0.8115988 
1 1 1 1  26 9  o 2.202630       0.5875317     2.324978       0.8405507     2.085747       0.8215650 
1 1 1 1  26 10 f 0.9292397      0.5713522     1.188780       0.8096017     0.6717255      0.8064358 
1 1 1 1  26 11 f 4.772109       0.5918332     4.841208       0.8481386     4.706532       0.8262479 
1 1 1 1  26 12 o 6.207075       0.6017861     6.004499       0.8572694     6.403881       0.8449721 
1 1 1 1  26 13 o 6.538592       0.6122854     6.453525       0.8714281     6.621536       0.8604802 
1 1 1 1  26 14 o 0.8647776      0.5933536     1.240356       0.8334437     0.4787737      0.8449317 
1 1 1 1  26 15 f 2.318008       0.6063859     2.997571       0.8635440     1.656963       0.8516972 
1 1 1 1  26 16 o 5.956058       0.6471170     5.620824       0.9013400     6.312673       0.9296393 
1 1 1 1  26 17 o 4.834511       0.6275816     4.987621       0.8883761     4.681980       0.8866950 
1 1 1 1  26 18 o 1.214659       0.6015173     2.264272       0.8524044     0.1735270      0.8489537 
1 1 1 1  26 19 o -0.2664083     0.6034035     -0.3443862     0.8721244     -0.1948041     0.8357220 
1 1 1 1  27 0  o 4.029495       0.8816233     4.029495       0.6234018     ?              ?         
1 1 1 1  27 1  o 6.679432       0.6786746     5.526765       0.9020852     8.182774       1.030207  
1 1 1 1  27 2  o 15.44054       0.6743389     15.58367       0.9602754     15.30129       0.9471781 
1 1 1 1  27 3  o 9.011786       0.6490658     8.568760       0.9194039     9.451959       0.9164386 
1 1 1 1  27 4  f 0.1005091      0.5994029     -0.1141214     0.8400460     0.3231268      0.8555337 
1 1 1 1  27 5  o 1.006477       0.6089021     1.532021       0.8586435     0.4748314      0.8636132 
1 1 1 1  27 6  f 1.516071       0.6099054     1.271190       0.8550542     1.769715       0.8702188 
1 1 1 1  27 7  f 1.309825       0.6062288     1.692114       0.8573933     0.9276354      0.8572807 
1 1 1 1  27 8  o 3.198820       0.6112780     2.263257       0.8612534     4.148525       0.8677384 
1 1 1 1  27 9  o 3.807514       0.6017032     3.144612       0.8710131     4.412636       0.8321878 
1 1 1 1  27 10 o 4.619984       0.6159770     3.367110       0.8613497     5.931380       0.8812369 
1 1 1 1  27 11 o 2.253494       0.6168419     1.561822       0.8679669     2.959302       0.8767925 
1 1 1 1  27 12 o 0.2724339      0.6147332     0.2822312      0.8773941     0.2629873      0.8615503 
1 1 1 1  27 13 o 0.6025162      0.6072367     1.088057       0.8528985     0.1033888      0.8647490 
1 1 1 1  27 14 o 0.1181566E-01  0.6156282     -0.6143141     0.8920801     0.5811459      0.8506557 
1 1 1 1  27 15 o 3.625606       0.7168018     1.752589       0.9644893     5.936568       1.071329  
1 1 1 1  27 16 o 1.232084       0.6124568     1.140929       0.8670713     1.322851       0.8652211 
1 1 1 1  27 17 o 1.099306       0.6195512     2.228397       0.8768197     -0.2648443E-01 0.8755370 
1 1 1 1  28 0  o 5.606318       1.021286      5.606318       0.7221585     ?              ?         
1 1 1 1  28 1  o 2.574877       0.5938939     2.208804       0.9091069     2.847411       0.7844082 
1 1 1 1  28 2  o 2.862358       0.6331632     4.024190       0.8983174     1.715355       0.8925662 
1 1 1 1  28 3  o 3.866600       0.6400095     2.830618       0.9287676     4.803363       0.8831729 
1 1 1 1  28 4  o 5.067192       0.6746131     4.712736       0.9455683     5.434652       0.9627578 
1 1 1 1  28 5  o 4.431280       0.6599697     5.454545       0.9340714     3.411222       0.9326065 
1 1 1 1  28 6  o 2.000978       0.6480514     0.9781786      0.9099234     3.053813       0.9231867 
1 1 1 1  28 7  o 1.631576       0.6446279     1.421148       0.9126173     1.841107       0.9106688 
1 1 1 1  28 8  o 1.288548       0.6149734     1.574115       0.8965823     1.034831       0.8451062 
1 1 1 1  28 9  o 1.285032       0.6056586     0.7962854      0.8776951     1.729324       0.8368268 
1 1 1 1  28 10 o 1.160701       0.6283455     1.218582       0.8826853     1.101238       0.8946654 
1 1 1 1  28 11 o -0.1535118     0.6328288     -0.9187606     0.8905305     0.6271366      0.8994462 
1 1 1 1  28 12 o 0.5915716E-01  0.6371684     0.2321692      0.9024832     -0.1127923     0.8997076 
1 1 1 1  28 13 o -0.5839927     0.6317007     -0.3823600     0.8850213     -0.7934074     0.9019383 
1 1 1 1  28 14 o 0.2946230      0.6471843     -0.1875129     0.8936022     0.8264991      0.9385659 
1 1 1 1  28 15 o -0.6716082     0.6554146     -0.8868989     0.9165775     -0.4463422     0.9375715 
1 1 1 1  29 1  o 0.3084732      0.6114446     0.8401344      0.9348181     -0.8904899E-01 0.8083330 
1 1 1 1  29 2  o 1.233349       0.6648033     2.098806       0.9673579     0.4587719      0.9151599 
1 1 1 1  29 3  o -0.3972479     0.6772748     -0.2329511     0.9633281     -0.5578342     0.9523879 
1 1 1 1  29 4  o 0.2572455      0.6686040     0.5835674      0.9399649     -0.7694746E-01 0.9512336 
1 1 1 1  29 5  o 0.8355029      0.6564978     0.6788512      0.9116210     1.004264       0.9462004 
1 1 1 1  29 6  o -0.7603182     0.6761119     -1.120545      0.9597652     -0.4054441     0.9526082 
1 1 1 1  29 7  o 1.415166       0.6521856     0.9324412      0.9327430     1.876920       0.9122576 
1 1 1 1  29 8  o 0.4109022      0.6458340     0.5219838      0.9152793     0.3007536      0.9114272 
1 1 1 1  29 9  o 1.726810       0.6549903     1.348760       0.9236318     2.109253       0.9289837 
1 1 1 1  29 10 o 1.338205       0.6436583     2.187549       0.9179672     0.5167628      0.9027638 
1 1 1 1  29 11 o 0.6015342      0.6477798     0.5049531      0.9252660     0.6943804      0.9071991 
1 1 1 1  30 0  f 4.057003       1.024632      4.057003       0.7245240     ?              ?         
1 1 1 1  30 1  o 3.609902       0.6446583     3.360383       0.9623795     3.812993       0.8682401 
1 1 1 1  30 2  o 2.620286       0.6334366     3.082093       0.9838330     2.293304       0.8278536 
1 1 1 1  30 3  o 0.7705646      0.6820737     0.5658475      0.9492638     0.9890652      0.9806999 
1 1 1 1  30 4  o 1.419824       0.7013765     0.8439727      1.002727      1.971449       0.9814085 
1 1 1 1  30 5  o 2.149605       0.6707458     1.911778       0.9679547     2.369297       0.9303201 
1 1 1 1  30 6  o 3.988750       0.6970756     3.276703       0.9585976     4.787822       1.015488  
1 1 1 1  30 7  o 5.203684       0.7160888     4.847682       0.9986662     5.580428       1.027348  
1 1 1 2  0  0  o 182.8993       3.585235      182.8993       2.535144      ?              ?         
1 1 1 2  0  1  f 0.3011044E-01  0.3823883E-01 0.3011044E-01  0.2703894E-01 ?              ?         
1 1 1 2  0  2  o 713.3239       8.959819      713.3239       6.335549      ?              ?         
1 1 1 2  0  3  o 40.40177       0.7090734     40.40177       0.5013906     ?              ?         
1 1 1 2  0  4  o 66.29841       0.9788048     66.29841       0.6921195     ?              ?         
1 1 1 2  0  5  o 427.1201       4.333505      427.1201       3.064251      ?              ?         
1 1 1 2  0  6  o 187.1895       2.177418      187.1895       1.539667      ?              ?         
1 1 1 2  0  7  o 603.4854       6.139906      603.4854       4.341569      ?              ?         
1 1 1 2  0  8  o 57.33688       0.8778915     57.33688       0.6207630     ?              ?         
1 1 1 2  0  9  o 122.3746       1.709299      122.3746       1.208657      ?              ?         
1 1 1 2  0  10 o 34.81775       0.6419374     34.81775       0.4539183     ?              ?         
1 1 1 2  0  11 o 148.2714       2.088530      148.2714       1.476814      ?              ?         
1 1 1 2  0  12 f 179.8371       2.468772      179.8371       1.745685      ?              ?         
1 1 1 2  0  13 o 54.09087       0.9393582     54.09087       0.6642266     ?              ?         
1 1 1 2  0  14 o 32.96903       0.6808275     32.96903       0.4814177     ?              ?         
1 1 1 2  0  15 o 4.462332       0.4045658     4.462332       0.2860712     ?              ?         
1 1 1 2  0  16 o 14.98931       0.5235902     14.98931       0.3702342     ?              ?         
1 1 1 2  0  17 o 29.83674       0.6996567     29.83674       0.4947320     ?              ?         
1 1 1 2  0  18 o 18.03696       0.6119044     18.03696       0.4326818     ?              ?         
1 1 1 2  0  19 o 69.05547       1.246372      69.05547       0.8813184     ?              ?         
1 1 1 2  0  20 o 51.83701       1.058707      51.83701       0.7486187     ?              ?         
1 1 1 2  0  21 o 0.7289101      0.5710984     0.7289101      0.4038276     ?              ?         
1 1 1 2  0  22 o 32.94910       0.8906441     32.94910       0.6297805     ?              ?         
1 1 1 2  0  23 o 5.782027       0.7180550     5.782027       0.5077415     ?              ?         
1 1 1 2  0  24 o 2.612435       0.7063987     2.612435       0.4994993     ?              ?         
1 1 1 2  0  25 o 30.79257       0.9703668     30.79257       0.6861529     ?              ?         
1 1 1 2  0  26 o 14.81245       0.8283086     14.81245       0.5857026     ?              ?         
1 1 1 2  0  27 o 9.877331       0.7954988     9.877331       0.5625026     ?              ?         
1 1 1 2  0  28 o 0.5815890      0.7056279     0.5815890      0.4989542     ?              ?         
1 1 1 2  0  29 o 0.6486218      0.6741458     0.6486218      0.4766931     ?              ?         
1 1 1 2  0  30 o -0.8226631     0.6619979     -0.8226631     0.4681032     ?              ?         
1 1 1 2  0  31 o 1.415176       0.6867687     1.415176       0.4856188     ?              ?         
1 1 1 2  0  32 o -0.4134262     0.6864949     -0.4134262     0.4854252     ?              ?         
1 1 1 2  0  33 o 1.847056       0.7328817     1.847056       0.5182256     ?              ?         
1 1 1 2  0  34 o -1.072690      0.7831615     -1.072690      0.5537788     ?              ?         
1 1 1 2  0  35 f 0.8342991      0.8091880     0.8342991      0.5721824     ?              ?         
1 1 1 2  0  36 o 0.5278867      0.9365475     0.5278867      0.6622391     ?              ?         
1 1 1 2  0  37 f -0.9226685     0.8844372     -0.9226685     0.6253915     ?              ?         
1 1 1 2  1  0  o -0.8798108E-02 0.4648584E-01 -0.8798108E-02 0.3287045E-01 ?              ?         
1 1 1 2  1  1  o 212.4099       2.003324      211.6825       2.809773      213.1620       2.857076  
1 1 1 2  1  2  o 55.16695       0.6662902     51.58642       0.8981802     59.54848       0.9935787 
1 1 1 2  1  3  o 637.9343       5.720088      669.8992       7.844443      601.6392       8.358896  
1 1 1 2  1  4  o 336.1971       2.633616      337.3954       3.672159      334.9281       3.779135  
1 1 1 2  1  5  o 581.3005       4.078895      574.0796       5.743269      588.6493       5.793922  
1 1 1 2  1  6  o 138.0756       1.208345      139.6009       1.707449      136.5452       1.710270  
1 1 1 2  1  7  o 30.37270       0.3730127     28.97946       0.5193810     31.85683       0.5360531 
1 1 1 2  1  8  o 859.3691       6.082641      856.7941       8.599673      861.9471       8.604636  
1 1 1 2  1  9  o 61.70821       0.6843551     60.82523       0.9601192     62.62012       0.9757178 
1 1 1 2  1  10 o 159.2513       1.535845      156.1583       2.135181      162.5673       2.210820  
1 1 1 2  1  11 o 23.19168       0.3610700     22.06454       0.5024961     24.39488       0.5191723 
1 1 1 2  1  12 o 388.8026       3.347395      390.6258       4.666318      386.8698       4.804570  
1 1 1 2  1  13 o 92.53214       1.027264      89.40947       1.435620      95.80862       1.470552  
1 1 1 2  1  14 o 38.76286       0.5351552     38.57503       0.7544720     38.95306       0.7591976 
1 1 1 2  1  15 o 22.69744       0.4125978     22.22944       0.5804492     23.17541       0.5866022 
1 1 1 2  1  16 o 41.45580       0.5853350     41.98390       0.8307282     40.93511       0.8248800 
1 1 1 2  1  17 o 25.96469       0.4697687     25.41175       0.6583260     26.53834       0.6705491 
1 1 1 2  1  18 o 93.22569       1.097729      93.99027       1.557140      92.47029       1.547748  
1 1 1 2  1  19 o 95.48938       1.303140      95.24606       1.842740      95.73280       1.843098  
1 1 1 2  1  20 o 24.98633       0.5212477     25.16311       0.7394095     24.81169       0.7349222 
1 1 1 2  1  21 o 50.40786       0.7500305     50.25918       1.061625      50.55602       1.059784  
1 1 1 2  1  22 o 9.174151       0.4736903     8.586339       0.6717273     9.755610       0.6680861 
1 1 1 2  1  23 o 38.36365       0.6906164     38.10871       0.9742201     38.62118       0.9791566 
1 1 1 2  1  24 o 11.57790       0.5501527     12.01515       0.7725224     11.12794       0.7836642 
1 1 1 2  1  25 f 3.179434       0.5244244     3.627737       0.7339841     2.711905       0.7495574 
1 1 1 2  1  26 o 12.35623       0.5767258     12.53527       0.8116388     12.17364       0.8196471 
1 1 1 2  1  27 o 1.467822       0.5156293     1.231675       0.7281104     1.705401       0.7303146 
1 1 1 2  1  28 o 2.390031       0.5102487     2.609905       0.7295982     2.179539       0.7138604 
1 1 1 2  1  29 o 0.3799453      0.4807954     0.8229960E-01  0.6822242     0.6736504      0.6776932 
1 1 1 2  1  30 o 0.5709604      0.4849606     0.8004588      0.7049321     0.3647464      0.6682156 
1 1 1 2  1  31 o 0.4406194      0.4797581     -0.4228046E-01 0.6836637     0.9091473      0.6734132 
1 1 1 2  1  32 o 0.2958612      0.4816745     0.2427240      0.6780061     0.3500085      0.6844205 
1 1 1 2  1  33 o 3.933507       0.5216606     3.273184       0.7433460     4.574278       0.7322581 
1 1 1 2  1  34 o 1.089416       0.5450071     0.3027613      0.7574409     1.933926       0.7847998 
1 1 1 2  1  35 o -0.3288010     0.5617098     0.2059444E-01  0.7874843     -0.6907037     0.8014552 
1 1 1 2  1  36 o -0.6067169     0.5867856     -0.1830553     0.8182163     -1.055339      0.8419740 
1 1 1 2  1  37 o 0.4077554E-01  0.6150754     0.7142740      0.8777555     -0.6089883     0.8621504 
1 1 1 2  2  0  o 457.6461       5.199673      457.6461       3.676724      ?              ?         
1 1 1 2  2  1  o 40.14039       0.4915768     37.56884       0.6591597     43.36275       0.7378690 
1 1 1 2  2  2  o 710.7243       5.537731      701.6389       7.532837      721.4087       8.168837  
1 1 1 2  2  3  o 353.6182       2.685262      357.6005       3.905772      350.0486       3.697823  
1 1 1 2  2  4  o 260.9162       1.894841      255.0073       2.623022      267.3650       2.740241  
1 1 1 2  2  5  f 239.5325       1.834411      237.0845       2.564631      242.0969       2.624917  
1 1 1 2  2  6  f 95.89655       0.9293150     92.97360       1.299545      98.95564       1.329466  
1 1 1 2  2  7  o 224.1464       1.876867      222.1732       2.641084      226.1596       2.667696  
1 1 1 2  2  8  o 123.4396       1.190461      126.9048       1.720340      120.2556       1.649054  
1 1 1 2  2  9  o 119.7508       1.187652      118.1256       1.670377      121.4124       1.688964  
1 1 1 2  2  10 o 84.38264       0.9015766     83.88368       1.267392      84.89381       1.282791  
1 1 1 2  2  11 o 182.9388       1.753580      184.0983       2.494984      181.8067       2.465159  
1 1 1 2  2  12 o 57.06335       0.6847380     57.98795       0.9726443     56.15484       0.9641433 
1 1 1 2  2  13 o 89.19386       0.9973399     88.78189       1.411971      89.60405       1.408937  
1 1 1 2  2  14 o 138.4215       1.458073      140.0889       2.070248      136.7803       2.053902  
1 1 1 2  2  15 o 31.90117       0.4899122     31.37520       0.6881809     32.44162       0.6975962 
1 1 1 2  2  16 f 133.7600       1.455700      133.1019       2.050478      134.4288       2.066963  
1 1 1 2  2  17 f 46.33672       0.6950122     44.66993       0.9676749     48.11267       0.9988580 
1 1 1 2  2  18 o 40.26268       0.6091086     40.01271       0.8550235     40.52026       0.8679409 
1 1 1 2  2  19 o 84.84895       1.039956      83.03780       1.458288      86.72322       1.483474  
1 1 1 2  2  20 o 67.58657       0.8859307     68.54765       1.256733      66.63715       1.249092  
1 1 1 2  2  21 o 12.14452       0.4678720     13.53302       0.6659771     10.79136       0.6574471 
1 1 1 2  2  22 o 95.39677       1.184889      95.74478       1.673974      95.04733       1.677405  
1 1 1 2  2  23 o 0.2133577      0.4776662     0.1733106      0.6838696     0.2515075      0.6674728 
1 1 1 2  2  24 o 1.363914       0.5173865     1.490743       0.7311586     1.236713       0.7322325 
1 1 1 2  2  25 o 5.798235       0.5333971     5.272250       0.7508592     6.334081       0.7578644 
1 1 1 2  2  26 f 6.664822       0.5466183     6.748399       0.7789840     6.583750       0.7672203 
1 1 1 2  2  27 o 6.078228       0.5253875     6.343270       0.7359229     5.802725       0.7503061 
1 1 1 2  2  28 o 14.31787       0.5722191     14.08508       0.7992277     14.56271       0.8196384 
1 1 1 2  2  29 o 3.928167       0.4974267     4.086629       0.6937872     3.760541       0.7135648 
1 1 1 2  2  30 o 2.098969       0.4843948     1.181082       0.6858833     3.012343       0.6841951 
1 1 1 2  2  31 o 0.7615206      0.4865277     0.6652616      0.6765128     0.8646404      0.7002070 
1 1 1 2  2  32 o 1.856629       0.5019150     1.786377       0.7014056     1.930354       0.7185344 
1 1 1 2  2  33 o 3.034287       0.5441507     3.181908       0.8232760     2.919766       0.7251253 
1 1 1 2  2  34 o 0.4041856      0.5370350     0.5036814      0.7466620     0.2975505      0.7729862 
1 1 1 2  2  35 o 0.5625889      0.5703505     0.7544696      0.7954528     0.3595651      0.8182240 
1 1 1 2  2  36 f 0.7435066      0.6036990     -0.4730435     0.8459446     2.006072       0.8617947 
1 1 1 2  2  37 o 0.5941495      0.6329929     0.4233115      0.8948859     0.7652177      0.8954886 
1 1 1 2  3  0  o 76.04275       1.037540      76.04275       0.7336518     ?              ?         
1 1 1 2  3  1  o 1493.025       12.97292      1382.215       15.11617      1802.796       25.27401  
1 1 1 2  3  2  o 148.3389       1.277920      146.6382       1.876771      149.8091       1.744925  
1 1 1 2  3  3  f 77.09814       0.7005979     79.61878       1.001515      74.68261       0.9804125 
1 1 1 2  3  4  o 112.8032       0.9562458     112.1068       1.369958      113.4649       1.335377  
1 1 1 2  3  5  o 547.3234       3.741316      542.4534       5.248763      552.3535       5.334314  
1 1 1 2  3  6  o 294.1642       2.251561      290.5228       3.105331      298.2003       3.269374  
1 1 1 2  3  7  o 37.29430       0.4408677     39.00245       0.6320227     35.67546       0.6152768 
1 1 1 2  3  8  o 24.72802       0.3445454     25.62447       0.4964654     23.89510       0.4785498 
1 1 1 2  3  9  o 154.9424       1.492231      156.5575       2.112381      153.3336       2.108292  
1 1 1 2  3  10 o 43.85371       0.5431651     42.78779       0.7628991     44.94949       0.7735137 
1 1 1 2  3  11 o 106.0901       1.119337      110.6922       1.605101      101.7333       1.561752  
1 1 1 2  3  12 o 195.1636       1.898939      193.7870       2.678223      196.5553       2.692847  
1 1 1 2  3  13 o 100.3864       1.101941      98.84392       1.551252      101.9576       1.565607  
1 1 1 2  3  14 o 204.4406       2.038660      204.7166       2.878710      204.1629       2.887510  
1 1 1 2  3  15 o 183.5825       1.876733      183.0727       2.656177      184.0907       2.652030  
1 1 1 2  3  16 o 72.38795       0.8780501     71.65282       1.235712      73.13763       1.247878  
1 1 1 2  3  17 o 77.25434       0.9352059     75.06609       1.307184      79.54881       1.338534  
1 1 1 2  3  18 o 4.472081       0.3560449     4.063157       0.4956325     4.908124       0.5118039 
1 1 1 2  3  19 o 49.82273       0.7168035     51.20248       1.016549      48.45826       1.010901  
1 1 1 2  3  20 f 8.922201       0.4207854     8.896224       0.5859906     8.949855       0.6046068 
1 1 1 2  3  21 o 3.460439       0.4378367     3.359841       0.6206273     3.560113       0.6177717 
1 1 1 2  3  22 o 23.24788       0.5708160     23.94284       0.8010967     22.53112       0.8135592 
1 1 1 2  3  23 o 22.64420       0.6086233     22.61957       0.8574139     22.66921       0.8640713 
1 1 1 2  3  24 o 4.113249       0.5335479     4.241776       0.7562464     3.985869       0.7528663 
1 1 1 2  3  25 o 7.368508       0.5626349     8.541929       0.7947327     6.189440       0.7966425 
1 1 1 2  3  26 o 0.1056176      0.5236117     -0.1293427     0.7484916     0.3308031      0.7327567 
1 1 1 2  3  27 o 10.72447       0.5581584     11.25839       0.7915662     10.19647       0.7871627 
1 1 1 2  3  28 o 1.553367       0.4991925     0.8517605      0.7177188     2.210824       0.6947700 
1 1 1 2  3  29 o 5.144181       0.4945910     4.820832       0.7145883     5.441523       0.6852485 
1 1 1 2  3  30 o 2.134283       0.4879333     1.589114       0.6851755     2.695219       0.6950133 
1 1 1 2  3  31 o 0.2003221      0.4866544     0.5440725      0.6842194     -0.1516146     0.6923186 
1 1 1 2  3  32 o 0.2447565E-01  0.4916230     0.4122015      0.6874478     -0.3813891     0.7033445 
1 1 1 2  3  33 o 0.4853339      0.5359249     0.3667807      0.7156982     0.6366630      0.8086013 
1 1 1 2  3  34 o 0.5086950      0.5318106     0.8269554      0.7264920     0.1412548      0.7806079 
1 1 1 2  3  35 o -0.8754189E-01 0.5645391     -0.2667341     0.7714596     0.1190426      0.8283283 
1 1 1 2  3  36 o -0.8557098E-01 0.5965645     0.8968154E-01  0.8291525     -0.2736579     0.8589770 
1 1 1 2  3  37 o 0.4802348      0.7156450     0.9810667E-01  1.092517      0.7674267      0.9471310 
1 1 1 2  4  0  o 696.8433       6.275323      696.8433       4.437324      ?              ?         
1 1 1 2  4  1  o 131.8602       1.095364      128.8181       1.575991      134.7030       1.523500  
1 1 1 2  4  2  o 212.0773       1.655237      211.9485       2.343963      212.2054       2.337766  
1 1 1 2  4  3  o 466.9001       3.298387      463.5942       4.664885      470.2054       4.664362  
1 1 1 2  4  4  o 266.6825       2.026532      269.7844       3.017940      264.1352       2.734828  
1 1 1 2  4  5  f 220.9156       1.704205      217.8705       2.446394      223.7866       2.375393  
1 1 1 2  4  6  o 196.7572       1.604437      198.0945       2.267609      195.4167       2.270427  
1 1 1 2  4  7  o 83.71255       0.8299848     84.41875       1.143669      82.92677       1.206393  
1 1 1 2  4  8  o 157.5523       1.435201      156.9821       1.979470      158.1842       2.083917  
1 1 1 2  4  9  o 28.95078       0.3882501     27.88764       0.5272913     30.20968       0.5737880 
1 1 1 2  4  10 o 14.19273       0.2922972     14.56367       0.4222828     13.85153       0.4050001 
1 1 1 2  4  11 o 34.72647       0.4778139     34.36674       0.6776373     35.08218       0.6738405 
1 1 1 2  4  12 o 31.21255       0.4588764     30.38618       0.6479942     32.04382       0.6499085 
1 1 1 2  4  13 f 137.2483       1.432202      136.3457       2.026082      138.1497       2.024797  
1 1 1 2  4  14 o 41.10172       0.5707361     41.22524       0.8079241     40.97867       0.8063636 
1 1 1 2  4  15 f 41.24252       0.5836284     41.79215       0.8315107     40.70882       0.8193735 
1 1 1 2  4  16 o 128.9802       1.421118      129.4867       2.021887      128.4857       1.997856  
1 1 1 2  4  17 o 38.18200       0.5825219     39.15876       0.8324179     37.24462       0.8154643 
1 1 1 2  4  18 o 39.94331       0.6172206     40.18898       0.8704208     39.69484       0.8753635 
1 1 1 2  4  19 o 8.127581       0.4045583     7.217744       0.5653496     9.082426       0.5791642 
1 1 1 2  4  20 o 40.34113       0.6569191     40.87208       0.9316784     39.81618       0.9263917 
1 1 1 2  4  21 o 3.759734       0.4279893     3.462525       0.6023389     4.062796       0.6082408 
1 1 1 2  4  22 o 4.196952       0.4719150     3.995314       0.6564727     4.412583       0.6788676 
1 1 1 2  4  23 o 18.54888       0.5690427     19.19366       0.8058559     17.90764       0.8036445 
1 1 1 2  4  24 o 4.554287       0.5349577     4.908694       0.7498968     4.187028       0.7633721 
1 1 1 2  4  25 o 4.700698       0.5319245     4.596620       0.7383127     4.813026       0.7670178 
1 1 1 2  4  26 o 2.531259       0.5465649     2.252339       0.7217535     2.906257       0.8368807 
1 1 1 2  4  27 o 0.8853150      0.5008126     1.037772       0.6938450     0.7195002      0.7236038 
1 1 1 2  4  28 o 6.904909       0.5033004     7.630305       0.7124237     6.182151       0.7111265 
1 1 1 2  4  29 o 0.5839764      0.4714272     0.8044892      0.6597101     0.3538658      0.6739143 
1 1 1 2  4  30 f 2.297124       0.4772521     2.982230       0.6782999     1.625441       0.6716225 
1 1 1 2  4  31 o 2.210963       0.4885875     2.199614       0.6865020     2.222611       0.6955203 
1 1 1 2  4  32 f 4.738427       0.5028210     5.536625       0.7234229     3.992406       0.6993789 
1 1 1 2  4  33 f -0.3600104E-01 0.5142353     0.3495430      0.7144070     -0.4505439     0.7407871 
1 1 1 2  4  34 o 1.097166       0.5522926     0.9220572      0.7650824     1.287707       0.7980818 
1 1 1 2  4  35 o 0.8525721      0.5570768     1.139399       0.7776631     0.5502466      0.7983973 
1 1 1 2  4  36 o 0.3363609E-01  0.6000772     -0.3589214     0.8505519     0.4226789      0.8467357 
1 1 1 2  5  0  o 3294.935       28.34620      3294.935       20.04379      ?              ?         
1 1 1 2  5  1  f 204.2009       1.675816      202.5822       2.362978      205.8389       2.377009  
1 1 1 2  5  2  o 375.5811       2.771089      377.7215       3.926607      373.4575       3.911260  
1 1 1 2  5  3  o 452.3367       3.267085      452.0644       4.598719      452.6142       4.642302  
1 1 1 2  5  4  o 275.0173       2.115946      277.8064       3.083417      272.5348       2.908993  
1 1 1 2  5  5  o 61.46936       0.5981931     62.47955       0.8505984     60.48086       0.8414218 
1 1 1 2  5  6  o 145.1821       1.263731      150.8845       1.846034      140.1530       1.733629  
1 1 1 2  5  7  o 19.16428       0.2799094     19.41166       0.4075723     18.94344       0.3850874 
1 1 1 2  5  8  o 80.51078       0.8219933     80.46603       1.164664      80.55520       1.160296  
1 1 1 2  5  9  f 59.47808       0.6716523     58.49209       0.9150625     60.62974       0.9889545 
1 1 1 2  5  10 f 4.047184       0.2179578     4.028266       0.2897096     4.071856       0.3308488 
1 1 1 2  5  11 f 55.10353       0.6493434     54.23680       0.8861958     56.10837       0.9541900 
1 1 1 2  5  12 o 53.23517       0.6689336     55.76468       0.9628419     50.87507       0.9300404 
1 1 1 2  5  13 o 1.347481       0.2619179     1.288179       0.3690086     1.407691       0.3718230 
1 1 1 2  5  14 o 79.45618       0.9307502     80.18221       1.323204      78.74516       1.309462  
1 1 1 2  5  15 f 92.07714       1.067462      90.01306       1.499519      94.19779       1.519925  
1 1 1 2  5  16 o 35.74268       0.5602121     35.41870       0.7980935     36.05736       0.7865518 
1 1 1 2  5  17 o 101.7588       1.178376      101.8289       1.669569      101.6893       1.663399  
1 1 1 2  5  18 o 68.80003       0.8903937     70.44701       1.271287      67.21419       1.247464  
1 1 1 2  5  19 o 96.50443       1.163173      95.26016       1.638037      97.77000       1.652002  
1 1 1 2  5  20 o 65.54542       0.9162882     64.04141       1.248866      67.29901       1.348518  
1 1 1 2  5  21 f 13.12437       0.4911830     13.10914       0.6976119     13.13934       0.6917013 
1 1 1 2  5  22 o 6.541255       0.4871427     6.901564       0.6855369     6.173737       0.6923616 
1 1 1 2  5  23 f 28.41505       0.6435370     28.56334       0.9212760     28.27375       0.8993187 
1 1 1 2  5  24 o 8.431738       0.5544448     8.326863       0.7761936     8.540999       0.7922599 
1 1 1 2  5  25 o 0.9843990      0.5230169     1.498519       0.7450030     0.4847743      0.7344254 
1 1 1 2  5  26 o 2.158186       0.5166746     1.892745       0.7235226     2.434410       0.7380712 
1 1 1 2  5  27 o 11.65112       0.5458278     10.92133       0.7562557     12.44466       0.7885935 
1 1 1 2  5  29 o 0.3402931      0.4835559     0.5012631      0.6837598     0.1792370      0.6839429 
1 1 1 2  5  30 o 0.7363954      0.4825929     0.9669502      0.6730357     0.4924159      0.6923531 
1 1 1 2  5  31 o 0.2488042      0.4882414     -0.1244332E-01 0.6831759     0.5215267      0.6980186 
1 1 1 2  5  32 f 1.273948       0.5046071     1.082191       0.7017931     1.479202       0.7260702 
1 1 1 2  5  33 o 0.5902237      0.5166051     0.4505806      0.7088008     0.7484624      0.7545204 
1 1 1 2  5  34 f 0.5770145      0.5337605     -0.2802108     0.7440249     1.486016       0.7661647 
1 1 1 2  5  35 o -0.3380073     0.5694942     0.1861495      0.7899415     -0.9052600     0.8217744 
1 1 1 2  5  36 o -0.3499868E-01 0.5991647     0.2678710E-01  0.8316543     -0.1016782     0.8639625 
1 1 1 2  6  0  o 67.15804       1.028754      67.15804       0.7274393     ?              ?         
1 1 1 2  6  1  o 655.3443       4.603428      652.0647       6.490798      658.6635       6.529839  
1 1 1 2  6  2  o 515.9740       3.742221      513.2251       5.267010      518.7763       5.317958  
1 1 1 2  6  3  o 268.2146       2.162769      276.1870       3.084332      260.5026       3.033537  
1 1 1 2  6  4  f 4.006062       0.1652326     4.232288       0.2408385     3.804885       0.2271133 
1 1 1 2  6  5  o 120.8261       1.101032      121.2508       1.611968      120.4547       1.507468  
1 1 1 2  6  6  o 56.44893       0.5786816     54.39232       0.8099494     58.59343       0.8270783 
1 1 1 2  6  7  o 25.73216       0.3446548     24.64663       0.4951312     26.75257       0.4800497 
1 1 1 2  6  8  f 7.774837       0.2205504     7.545917       0.3217473     7.977742       0.3029146 
1 1 1 2  6  9  o 62.06412       0.6652250     65.11984       0.9774709     59.42781       0.9079155 
1 1 1 2  6  10 o 138.6983       1.331187      137.0259       1.867605      140.4255       1.897925  
1 1 1 2  6  11 f 100.3912       1.063126      101.7258       1.470732      98.93069       1.538532  
1 1 1 2  6  12 o 25.60625       0.4118909     24.75200       0.5589055     26.62170       0.6093633 
1 1 1 2  6  13 o 195.7569       1.943543      196.2426       2.665632      195.2056       2.839797  
1 1 1 2  6  14 o 29.65160       0.4883912     29.51673       0.6924676     29.78510       0.6889250 
1 1 1 2  6  15 o 134.4148       1.458999      139.0393       2.088731      130.0087       2.038845  
1 1 1 2  6  16 o 19.21784       0.4316758     19.76955       0.6187261     18.69460       0.6025583 
1 1 1 2  6  17 o 105.3008       1.225720      106.6680       1.745154      103.9698       1.721938  
1 1 1 2  6  18 o 11.06232       0.4217035     11.27695       0.6039348     10.85810       0.5890996 
1 1 1 2  6  19 f 31.48088       0.5848337     31.94170       0.8393375     31.04603       0.8153439 
1 1 1 2  6  20 o 0.2435025      0.4057676     0.5704975      0.5765452     -0.7743094E-01 0.5711764 
1 1 1 2  6  21 o 16.20771       0.5248847     16.42942       0.7522951     15.99740       0.7326911 
1 1 1 2  6  22 o 44.21887       0.7491779     43.17829       1.063510      45.24390       1.055530  
1 1 1 2  6  23 o 64.93465       0.9545684     64.01863       1.352363      65.84418       1.347577  
1 1 1 2  6  24 o 1.606209       0.5205007     1.887564       0.7282755     1.312431       0.7441805 
1 1 1 2  6  25 o 27.28480       0.6677586     26.69581       0.9383331     27.88914       0.9504907 
1 1 1 2  6  26 o 7.121407       0.5377305     6.586669       0.7548367     7.672398       0.7662226 
1 1 1 2  6  27 o 1.897307       0.4894726     2.301171       0.6887450     1.485192       0.6957457 
1 1 1 2  6  28 o 0.7686591      0.4837952     0.9747838      0.6807531     0.5583189      0.6876789 
1 1 1 2  6  29 o -0.7272252     0.4783669     -0.9157103     0.6612344     -0.5202541     0.6929020 
1 1 1 2  6  30 o 1.960406       0.4754771     1.376628       0.6673995     2.562109       0.6775682 
1 1 1 2  6  31 o 0.4873593      0.4885926     0.2695614      0.6772879     0.7236967      0.7055254 
1 1 1 2  6  32 o 1.323830       0.5069187     0.9896148      0.7045212     1.682593       0.7299369 
1 1 1 2  6  33 o -0.5258682     0.5218430     -0.3613657     0.7266681     -0.7010450     0.7498738 
1 1 1 2  6  34 o 0.7134961      0.5502493     1.362874       0.7598391     -0.2557923E-02 0.7978951 
1 1 1 2  6  35 o -0.4560837     0.5792122     -0.6745005E-01 0.7960272     -0.8933522     0.8443680 
1 1 1 2  6  36 o 0.2291962      0.6092805     0.4743991E-02  0.8467172     0.4702144      0.8774077 
1 1 1 2  7  0  o 74.16793       1.085642      74.16793       0.7676650     ?              ?         
1 1 1 2  7  1  o 383.3374       2.971548      383.1476       4.207059      383.5264       4.197763  
1 1 1 2  7  2  o 277.9103       2.301940      277.3050       3.247106      278.5219       3.263828  
1 1 1 2  7  3  o 126.7640       1.207808      125.4026       1.703034      128.1416       1.713208  
1 1 1 2  7  4  o 251.1253       2.077821      245.1003       3.005436      256.6418       2.875814  
1 1 1 2  7  5  o 74.22235       0.7584733     72.34067       1.100062      75.92746       1.047178  
1 1 1 2  7  6  o 136.7577       1.228171      131.7528       1.721276      141.9486       1.752950  
1 1 1 2  7  7  f 110.7627       1.042836      113.0790       1.480472      108.4816       1.469179  
1 1 1 2  7  8  o 26.65509       0.3622760     26.56687       0.5142125     26.74204       0.5104793 
1 1 1 2  7  9  o 5.970753       0.2384151     5.896927       0.3436240     6.039281       0.3310663 
1 1 1 2  7  10 o 77.32088       0.8171309     80.02390       1.196651      74.95939       1.118499  
1 1 1 2  7  11 o 50.29504       0.6102226     51.27304       0.8659047     49.33011       0.8600947 
1 1 1 2  7  12 o 18.73346       0.3592155     20.39232       0.5102497     17.10344       0.5057946 
1 1 1 2  7  13 o 88.38085       0.9866512     89.74101       1.359883      86.86898       1.433714  
1 1 1 2  7  14 o 126.5240       1.339598      127.2162       1.848036      125.7576       1.944606  
1 1 1 2  7  15 o 76.21590       0.8989558     76.21674       1.232774      76.21495       1.313714  
1 1 1 2  7  16 o 50.86316       0.6845846     50.28184       0.9357728     51.53253       1.004136  
1 1 1 2  7  17 o 38.62666       0.6169849     37.42700       0.8721282     39.82864       0.8729693 
1 1 1 2  7  18 f 38.03349       0.6339071     36.70098       0.8962085     39.36761       0.8967519 
1 1 1 2  7  19 o 6.638774       0.4275340     6.806879       0.6089656     6.475380       0.6003746 
1 1 1 2  7  20 f 16.09799       0.5060467     15.83915       0.7083339     16.36782       0.7232141 
1 1 1 2  7  21 o 14.31780       0.5212813     14.63337       0.7550175     14.03035       0.7205930 
1 1 1 2  7  22 f 2.690205       0.4777521     2.072609       0.6657917     3.345758       0.6859460 
1 1 1 2  7  23 o 19.46903       0.6046624     19.24851       0.8613967     19.68323       0.8489819 
1 1 1 2  7  24 o 1.033389       0.5041670     1.313754       0.7208832     0.7649618      0.7053694 
1 1 1 2  7  25 o 1.443956       0.5088034     0.8697245      0.7112965     2.045658       0.7281113 
1 1 1 2  7  26 f 8.380159       0.5427006     8.285697       0.7853385     8.466499       0.7508141 
1 1 1 2  7  27 o 4.219202       0.4982103     3.895974       0.7017952     4.547604       0.7073896 
1 1 1 2  7  28 f 0.9769009      0.4766658     0.6666678      0.6660309     1.302651       0.6824847 
1 1 1 2  7  29 o 0.5969442      0.4701070     0.7618988      0.6548334     0.4215161      0.6753023 
1 1 1 2  7  30 o -0.7845418     0.4701319     -0.9393861     0.6683277     -0.6328638     0.6614594 
1 1 1 2  7  31 f 1.721290       0.4913996     1.665028       0.6808049     1.782481       0.7100021 
1 1 1 2  7  32 o 0.3898344      0.4999108     0.4428247      0.6967376     0.3336093      0.7176892 
1 1 1 2  7  33 o 0.3923267      0.5211385     0.6504251      0.7278115     0.1207685      0.7465479 
1 1 1 2  7  34 f -0.6385117     0.5557765     -0.9630631     0.7679577     -0.2815874     0.8053482 
1 1 1 2  7  35 o -0.2629373     0.5803574     -0.1875876     0.7982722     -0.3474142     0.8452389 
1 1 1 2  7  36 f 0.6794588E-01  0.5969712     -0.9999740     0.8251734     1.240632       0.8647026 
1 1 1 2  8  0  o 3.450529       0.2932993     3.450529       0.2073939     ?              ?         
1 1 1 2  8  1  o 46.15464       0.5560454     44.90117       0.7543317     47.64621       0.8228639 
1 1 1 2  8  2  o 144.5247       1.376587      146.1611       1.950045      142.8992       1.943548  
1 1 1 2  8  3  o 53.86325       0.6105171     53.14015       0.8577632     54.60568       0.8691525 
1 1 1 2  8  4  o 36.45851       0.4606037     36.48162       0.6500251     36.43521       0.6527676 
1 1 1 2  8  5  o 18.82723       0.3133526     20.00309       0.4678580     17.87067       0.4219797 
1 1 1 2  8  6  o 60.90276       0.6633567     60.19165       0.9671468     61.53450       0.9115739 
1 1 1 2  8  7  o 2.194875       0.2116916     2.253411       0.3079278     2.142417       0.2915014 
1 1 1 2  8  8  o 76.58039       0.7854640     73.56538       1.099765      79.71970       1.122203  
1 1 1 2  8  9  o 106.8874       1.036898      109.8295       1.478505      104.0397       1.454577  
1 1 1 2  8  10 o 19.05161       0.3451053     18.19424       0.4968995     19.85052       0.4796620 
1 1 1 2  8  11 o 8.289397       0.2814128     7.997249       0.4099468     8.549754       0.3869994 
1 1 1 2  8  12 o 64.08854       0.7481263     64.70157       1.056536      63.47207       1.059491  
1 1 1 2  8  13 o 24.90571       0.4287070     23.92185       0.5935795     25.97856       0.6198392 
1 1 1 2  8  14 o 10.10010       0.4133491     9.569060       0.5484605     10.79830       0.6288857 
1 1 1 2  8  15 o 26.65693       0.4644019     27.65067       0.6632961     25.70141       0.6504201 
1 1 1 2  8  16 o 107.4763       1.211346      106.9344       1.663851      108.0874       1.767003  
1 1 1 2  8  17 o 148.8253       1.601425      149.7284       2.202854      147.8130       2.332191  
1 1 1 2  8  18 o 11.99661       0.4198382     11.80608       0.5648020     12.23190       0.6276386 
1 1 1 2  8  19 o 23.57357       0.5222611     23.77227       0.7093465     23.33836       0.7717739 
1 1 1 2  8  20 o 52.05243       0.8040292     51.03531       1.138290      53.06519       1.135852  
1 1 1 2  8  21 o 9.583749       0.5197436     9.898877       0.7362040     9.270624       0.7338583 
1 1 1 2  8  22 o 5.327984       0.5241409     4.462380       0.7383951     6.207091       0.7441325 
1 1 1 2  8  23 f 5.061811       0.5350151     5.527116       0.7501299     4.580032       0.7632931 
1 1 1 2  8  24 o 5.796113       0.5306709     6.389213       0.7354292     5.151842       0.7664984 
1 1 1 2  8  25 o 2.097785       0.5125848     2.326092       0.7076637     1.845790       0.7434700 
1 1 1 2  8  26 f 3.932679       0.4932245     3.747519       0.6972893     4.118089       0.6977604 
1 1 1 2  8  27 o 11.77734       0.5268632     10.93678       0.7403728     12.63969       0.7499129 
1 1 1 2  8  28 o 1.501189       0.4725232     1.667530       0.6636216     1.330127       0.6729741 
1 1 1 2  8  29 o 1.540670       0.4742139     0.8143646      0.6639864     2.296834       0.6774971 
1 1 1 2  8  30 o 0.1267049      0.4745994     0.2072272      0.6723180     0.4672310E-01  0.6700574 
1 1 1 2  8  31 o 0.7727270      0.4812096     0.8533739      0.6734083     0.6885743      0.6878891 
1 1 1 2  8  32 o 0.4580839      0.5050269     0.5294666      0.7102071     0.3850664      0.7182932 
1 1 1 2  8  33 o 1.454214       0.5302089     1.609958       0.7244695     1.274580       0.7780519 
1 1 1 2  8  34 o -0.7547110E-01 0.5622815     -0.6885499     0.7790525     0.5911608      0.8123657 
1 1 1 2  8  35 o 0.4751449      0.5983573     1.077581       0.8238378     -0.1974667     0.8704990 
1 1 1 2  9  0  o 11.09456       0.3926806     11.09456       0.2776671     ?              ?         
1 1 1 2  9  1  o 68.01479       0.7684059     65.75097       1.041370      70.72058       1.138493  
1 1 1 2  9  2  f 115.7745       1.198420      115.4263       1.637827      116.1757       1.758215  
1 1 1 2  9  3  o 16.53264       0.3183005     16.44867       0.4456678     16.62006       0.4547596 
1 1 1 2  9  4  o 94.03986       0.9842790     92.86668       1.385921      95.23377       1.398121  
1 1 1 2  9  5  o 44.08459       0.5309329     41.01273       0.7592140     47.02477       0.7427613 
1 1 1 2  9  6  o 23.56833       0.3672843     22.95663       0.5424844     24.08603       0.4990648 
1 1 1 2  9  7  f 10.02588       0.2800870     11.60529       0.4254137     8.817408       0.3721200 
1 1 1 2  9  8  o 96.01961       0.9626207     94.70408       1.359821      97.34108       1.362886  
1 1 1 2  9  9  f 46.27780       0.5527952     46.87566       0.7870383     45.69567       0.7766070 
1 1 1 2  9  10 f 139.8326       1.341275      139.6489       1.883405      140.0218       1.910587  
1 1 1 2  9  11 o 101.9758       1.054544      105.8983       1.545492      98.55853       1.442527  
1 1 1 2  9  12 o 130.6162       1.309201      130.2224       1.893948      130.9765       1.811764  
1 1 1 2  9  13 o 248.9198       2.371012      250.6443       3.356483      247.2021       3.349762  
1 1 1 2  9  14 o 58.50566       0.7274080     58.11986       1.017983      58.90816       1.039784  
1 1 1 2  9  15 o 88.24126       0.9995155     89.78397       1.413727      86.69942       1.413330  
1 1 1 2  9  16 o 98.99308       1.114132      99.84093       1.575430      98.14481       1.575812  
1 1 1 2  9  17 o 100.5674       1.139998      101.4878       1.615124      99.65371       1.609293  
1 1 1 2  9  18 o 100.0912       1.144286      99.15790       1.608802      101.0468       1.627896  
1 1 1 2  9  19 f 86.47666       1.071220      85.43629       1.467671      87.66273       1.567079  
1 1 1 2  9  20 o 14.52374       0.5003033     14.49622       0.6794294     14.55633       0.7394460 
1 1 1 2  9  21 o 0.8988676      0.4684928     0.9514429      0.6293535     0.8335252      0.7016197 
1 1 1 2  9  22 o 4.113186       0.4851119     4.752997       0.6565429     3.343859       0.7199343 
1 1 1 2  9  23 o 3.932602       0.5028911     4.044292       0.6862387     3.803046       0.7390894 
1 1 1 2  9  24 o 8.090884       0.5348007     8.335469       0.7515891     7.840040       0.7611463 
1 1 1 2  9  25 o 0.8031964      0.4853060     0.5389216E-01  0.6832867     1.565983       0.6894068 
1 1 1 2  9  26 o 4.316523       0.5435030     3.055628       0.7532810     5.685687       0.7849557 
1 1 1 2  9  27 o 2.842723       0.4824511     2.991456       0.6847321     2.696094       0.6798717 
1 1 1 2  9  28 o 5.784299       0.4880151     5.919330       0.6783010     5.639396       0.7026587 
1 1 1 2  9  29 o 0.7939724      0.4626897     0.7515937      0.6361381     0.8415746      0.6742038 
1 1 1 2  9  30 o 0.1523907      0.4737729     0.2390162      0.6555845     0.5769431E-01  0.6854448 
1 1 1 2  9  31 o 0.8592090      0.5010660     1.199966       0.7100153     0.5211279      0.7072216 
1 1 1 2  9  32 f 0.4469050      0.5163971     0.9530275      0.7350941     -0.4621486E-01 0.7255901 
1 1 1 2  9  33 o 1.000083       0.5363392     0.9094610      0.7389479     1.100973       0.7796870 
1 1 1 2  9  34 o 1.519478       0.5711483     1.863527       0.7937692     1.150123       0.8224451 
1 1 1 2  9  35 o 0.7959881      0.5920125     0.9516684      0.8280310     0.6331906      0.8467467 
1 1 1 2  10 0  o 4.538383       0.3632725     4.538383       0.2568724     ?              ?         
1 1 1 2  10 1  o 59.16328       0.7081984     58.26801       0.9633209     60.21622       1.044710  
1 1 1 2  10 2  f 107.6211       1.147089      103.7831       1.550777      112.2581       1.704566  
1 1 1 2  10 3  o 120.9977       1.225456      119.7423       1.720600      122.2901       1.745787  
1 1 1 2  10 4  o 114.9618       1.179783      113.7577       1.656680      116.2007       1.680506  
1 1 1 2  10 5  o 2.811597       0.2500024     3.361747       0.3652604     2.326713       0.3429106 
1 1 1 2  10 6  o 206.6245       1.893857      206.5873       2.746961      206.6582       2.614577  
1 1 1 2  10 7  o 29.04840       0.4347160     28.41403       0.6379448     29.59832       0.5939706 
1 1 1 2  10 8  f 112.3259       1.115019      108.3872       1.555656      116.4871       1.598988  
1 1 1 2  10 9  f 203.2473       1.861891      202.2005       2.629932      204.2991       2.636303  
1 1 1 2  10 10 o 30.16466       0.4444551     29.45910       0.6283236     30.87126       0.6287854 
1 1 1 2  10 11 o 239.8104       2.161710      241.6893       3.063366      237.9468       3.050910  
1 1 1 2  10 12 f 41.14071       0.5615141     41.86301       0.8165051     40.49258       0.7734452 
1 1 1 2  10 13 o 161.4148       1.595449      161.5538       2.314485      161.2888       2.202304  
1 1 1 2  10 14 o 121.9441       1.305709      123.9222       1.854174      119.9983       1.839022  
1 1 1 2  10 15 o 210.4713       2.108455      210.3996       2.982661      210.5429       2.980953  
1 1 1 2  10 16 o 17.91044       0.4529422     16.71181       0.6285599     19.20516       0.6532682 
1 1 1 2  10 17 o 40.76177       0.6352614     41.48858       0.9001881     40.04073       0.8966132 
1 1 1 2  10 18 o 40.07378       0.6465886     40.64821       0.9124042     39.49426       0.9164379 
1 1 1 2  10 19 f 17.43672       0.5029170     17.01699       0.6956551     17.89626       0.7279045 
1 1 1 2  10 20 o 12.38662       0.4885186     11.12957       0.6744214     13.77425       0.7085832 
1 1 1 2  10 21 f 1.298189       0.4701212     1.717186       0.6652358     0.8801582      0.6644685 
1 1 1 2  10 22 o 10.34991       0.5303539     9.757547       0.7122477     11.08708       0.7945512 
1 1 1 2  10 23 o 12.13819       0.5413006     12.59088       0.7423286     11.62416       0.7910185 
1 1 1 2  10 24 o 25.96805       0.6269049     25.42413       0.8584542     26.58957       0.9176590 
1 1 1 2  10 25 o 11.58007       0.5277807     12.43702       0.7254773     10.61663       0.7692320 
1 1 1 2  10 26 o 10.70956       0.5003248     11.31399       0.6879011     10.03071       0.7290203 
1 1 1 2  10 27 f 3.374874       0.4645126     4.114246       0.6307496     2.498656       0.6866437 
1 1 1 2  10 28 o 0.6717211      0.4403939     1.488472       0.5893960     -0.3606391     0.6626404 
1 1 1 2  10 29 o 1.058588       0.4927528     0.8899693      0.6674384     1.260600       0.7305450 
1 1 1 2  10 30 o 0.3800812      0.4886639     1.072343       0.6814556     -0.3526970     0.7011141 
1 1 1 2  10 31 o 0.8000755      0.5091051     1.022471       0.7231086     0.5814839      0.7168981 
1 1 1 2  10 32 o -0.2172693     0.5134067     -0.6218257     0.7038666     0.2426804      0.7505093 
1 1 1 2  10 33 o -0.1754918     0.5374667     0.4691172      0.7416034     -0.8886467     0.7800376 
1 1 1 2  10 34 o 0.4410180      0.5837434     0.2191576      0.8171813     0.6721914      0.8341562 
1 1 1 2  10 35 o 1.465228       0.6047949     1.341348       0.8331119     1.603249       0.8793808 
1 1 1 2  11 0  o 10.95666       0.4902364     10.95666       0.3466495     ?              ?         
1 1 1 2  11 1  o 97.95775       1.074320      94.18152       1.450043      102.5530       1.599575  
1 1 1 2  11 2  o 132.2194       1.379590      129.1549       1.872823      135.8552       2.039943  
1 1 1 2  11 3  o 13.86736       0.3558232     13.47155       0.4793697     14.35303       0.5310022 
1 1 1 2  11 4  o 6.878280       0.2950892     6.647985       0.4155786     7.112473       0.4190816 
1 1 1 2  11 5  o 116.4984       1.174024      117.1843       1.707957      115.8840       1.616461  
1 1 1 2  11 6  f 57.70890       0.6775007     58.99938       0.9938617     56.58865       0.9259955 
1 1 1 2  11 7  o 20.37708       0.3866474     22.02657       0.5823441     19.07669       0.5170626 
1 1 1 2  11 8  o 2.471103       0.2896604     2.836068       0.4376706     2.186653       0.3863889 
1 1 1 2  11 9  f 24.17829       0.4086219     25.53429       0.5890330     22.92034       0.5673348 
1 1 1 2  11 10 f 25.87461       0.4299316     26.78877       0.6118981     24.98328       0.6042051 
1 1 1 2  11 11 o 112.0103       1.141381      111.7393       1.619265      112.2779       1.609095  
1 1 1 2  11 12 o 33.72566       0.5001510     34.22678       0.7125252     33.23892       0.7022279 
1 1 1 2  11 13 o 141.2005       1.442665      140.1050       2.089418      142.1987       1.994370  
1 1 1 2  11 14 f 19.48303       0.4326352     19.11440       0.6315061     19.80908       0.5939011 
1 1 1 2  11 15 o 20.28236       0.4750606     20.34384       0.6777777     20.22299       0.6660502 
1 1 1 2  11 16 o 0.4746737      0.3729975     0.9220771      0.5247645     0.1782510E-01  0.5302748 
1 1 1 2  11 17 o 18.90958       0.4920476     18.57111       0.6833017     19.27413       0.7091379 
1 1 1 2  11 18 o 90.81585       1.093727      89.99429       1.535397      91.66219       1.558385  
1 1 1 2  11 19 o 35.17780       0.6442581     34.99036       0.9044162     35.37090       0.9179720 
1 1 1 2  11 20 o 8.785371       0.4897856     8.539864       0.6885958     9.036763       0.6967999 
1 1 1 2  11 21 o -0.5838333     0.4734672     -0.9679714     0.6576816     -0.1705727     0.6821564 
1 1 1 2  11 22 o 0.3172758      0.4642310     1.161260       0.6487375     -0.5684682     0.6645933 
1 1 1 2  11 23 f 6.586159       0.4877331     6.171958       0.6901276     6.999476       0.6893904 
1 1 1 2  11 24 o 6.228375       0.4821211     6.026812       0.6778227     6.434768       0.6858934 
1 1 1 2  11 25 o 0.9546752      0.4412804     0.7839930      0.6259066     1.123363       0.6222390 
1 1 1 2  11 26 o 2.300359       0.4629051     1.891096       0.6379642     2.755417       0.6727104 
1 1 1 2  11 27 o 3.379128       0.4529403     3.735511       0.6087427     2.937120       0.6779385 
1 1 1 2  11 28 o 2.316819       0.4633064     2.005866       0.6220289     2.704280       0.6943488 
1 1 1 2  11 29 o 0.5981245E-01  0.4515950     -0.1350004     0.6073099     0.3007636      0.6754077 
1 1 1 2  11 30 o 0.7940575E-01  0.4651685     0.5011161      0.6243672     -0.4466765     0.6973645 
1 1 1 2  11 31 o 0.7443748      0.4794759     -0.2203508E-01 0.6409948     1.717953       0.7224528 
1 1 1 2  11 32 o 0.2603584      0.5058911     0.2614919      0.6726629     0.2588825      0.7675707 
1 1 1 2  11 33 o 0.7875232      0.5319915     1.015718       0.7113860     0.4979866      0.8013160 
1 1 1 2  11 34 o -0.1493492     0.5601421     -0.3723588     0.7557538     0.1224847      0.8343924 
1 1 1 2  12 0  o 6.162533       0.4817798     6.162533       0.3406698     ?              ?         
1 1 1 2  12 1  o 37.72741       0.5502339     36.45424       0.7446505     39.25855       0.8166156 
1 1 1 2  12 2  o 61.53350       0.7625934     60.06063       1.033370      63.29485       1.130042  
1 1 1 2  12 3  f 14.39782       0.3748493     13.72405       0.4991526     15.26923       0.5676656 
1 1 1 2  12 4  o 5.530186       0.3302102     5.880927       0.4405661     5.080568       0.4988149 
1 1 1 2  12 5  o 6.920657       0.3207169     7.191537       0.4756224     6.694788       0.4343117 
1 1 1 2  12 6  o 109.9959       1.140829      110.2350       1.663774      109.7837       1.567296  
1 1 1 2  12 7  o 24.73610       0.4389921     25.31581       0.6583708     24.27204       0.5890538 
1 1 1 2  12 8  o 270.5282       2.484087      273.6392       3.650651      267.8458       3.389884  
1 1 1 2  12 9  o 67.56122       0.7946988     69.56896       1.174388      65.86524       1.079363  
1 1 1 2  12 10 f 21.55061       0.4103410     21.98401       0.5883009     21.13999       0.5726357 
1 1 1 2  12 11 o 25.41233       0.4563408     25.98010       0.6621345     24.89865       0.6298051 
1 1 1 2  12 12 o 64.19890       0.7646616     63.46400       1.084290      64.92599       1.078523  
1 1 1 2  12 13 o 1.905196       0.3348808     1.522345       0.4794579     2.269871       0.4679380 
1 1 1 2  12 14 f 42.08540       0.6235316     42.72882       0.9132168     41.52346       0.8534298 
1 1 1 2  12 15 o 1.957955       0.3744866     2.133339       0.5442527     1.800260       0.5160779 
1 1 1 2  12 16 f 0.5194039      0.3980944     0.8670705      0.5568435     0.1559504      0.5693457 
1 1 1 2  12 17 o 21.47881       0.5265812     21.10087       0.7304348     21.88778       0.7598315 
1 1 1 2  12 18 f 6.950325       0.4619541     6.896256       0.6500787     7.005481       0.6565731 
1 1 1 2  12 19 o 19.30859       0.5568504     19.23098       0.7735163     19.39207       0.8022820 
1 1 1 2  12 20 f 1.969913       0.4668231     1.505725       0.6486838     2.468554       0.6723258 
1 1 1 2  12 21 f 2.633524       0.4767052     1.839973       0.6667339     3.463456       0.6818461 
1 1 1 2  12 22 o 2.985137       0.4795201     2.675782       0.6735875     3.303006       0.6827937 
1 1 1 2  12 23 o 3.883719       0.4680505     3.807755       0.6590397     3.961027       0.6648451 
1 1 1 2  12 24 f -0.1803944     0.4414674     -0.3921229     0.6157249     0.4359681E-01  0.6333045 
1 1 1 2  12 25 o 3.141402       0.4679186     2.856637       0.6575085     3.433612       0.6660478 
1 1 1 2  12 26 o 1.031152       0.4409299     0.8296262      0.5975567     1.272034       0.6533039 
1 1 1 2  12 27 o 1.180316       0.4399363     1.467301       0.6121412     0.8737361      0.6326957 
1 1 1 2  12 28 o 0.4167337      0.4440480     0.8168005      0.6262521     0.1222415E-01  0.6297198 
1 1 1 2  12 29 o 0.4932450      0.4531932     0.7705496      0.6344307     0.2043122      0.6475959 
1 1 1 2  12 30 o 1.922741       0.4678189     1.416459       0.6435336     2.490139       0.6812695 
1 1 1 2  12 31 o 0.7441832      0.4751668     0.8894370      0.6642560     0.5919645      0.6799950 
1 1 1 2  12 32 o 0.2971323      0.5244988     0.1708038      0.6963331     0.4627950      0.7974046 
1 1 1 2  12 33 o 0.4499009      0.5426475     0.3237739      0.7230299     0.6125781      0.8211368 
1 1 1 2  12 34 o -0.1836887     0.5634332     -0.7336211     0.7562827     0.5022656      0.8446507 
1 1 1 2  13 0  o 2.270649       0.5128216     2.270649       0.3626196     ?              ?         
1 1 1 2  13 1  o 27.37991       0.4906920     27.09188       0.6613787     27.73260       0.7318460 
1 1 1 2  13 2  o 294.5213       2.843054      295.2557       3.888180      293.6774       4.167733  
1 1 1 2  13 3  o 12.84080       0.3998962     13.02266       0.5412313     12.62217       0.5934455 
1 1 1 2  13 4  o 262.5472       2.587850      263.8011       3.542073      261.1116       3.790043  
1 1 1 2  13 5  f 150.1782       1.502054      151.8513       2.189774      148.6914       2.064230  
1 1 1 2  13 6  o 34.48032       0.5263712     33.43917       0.7702789     35.39243       0.7209679 
1 1 1 2  13 7  o 191.3865       1.860370      191.5229       2.711315      191.2650       2.557353  
1 1 1 2  13 8  o 23.37216       0.4557082     24.15400       0.6800246     22.73484       0.6139639 
1 1 1 2  13 9  o 126.6369       1.315926      128.4477       1.930538      125.0655       1.798474  
1 1 1 2  13 10 o 1.334658       0.3445664     1.915148       0.5300143     0.9097269      0.4534712 
1 1 1 2  13 11 o 7.843139       0.3769574     7.945327       0.5430399     7.748106       0.5236834 
1 1 1 2  13 12 o 22.34578       0.4630349     21.67933       0.6597860     22.99257       0.6499844 
1 1 1 2  13 13 f 13.69278       0.4194957     13.79177       0.5985238     13.59720       0.5881259 
1 1 1 2  13 14 o 4.204725       0.3859784     4.283501       0.5433248     4.124463       0.5484226 
1 1 1 2  13 15 o 10.13059       0.4350061     10.12144       0.6256266     10.13916       0.6052617 
1 1 1 2  13 16 f 21.64082       0.5190724     21.96439       0.7517325     21.34596       0.7176140 
1 1 1 2  13 17 f 2.570521       0.4533246     1.827587       0.6348887     3.343245       0.6474926 
1 1 1 2  13 18 o 2.418674       0.4724809     2.413681       0.6627879     2.423834       0.6737242 
1 1 1 2  13 19 o 4.674658       0.4929292     4.435598       0.7187573     4.886937       0.6773025 
1 1 1 2  13 20 o 3.702659       0.4769297     3.233335       0.6790922     4.159447       0.6699614 
1 1 1 2  13 21 f 7.120577       0.4931006     7.151510       0.6980782     7.089773       0.6966233 
1 1 1 2  13 22 o 2.101139       0.4457731     0.9364408      0.6164324     3.377878       0.6454015 
1 1 1 2  13 23 o 0.8734829      0.4526753     0.3907544      0.6325645     1.380177       0.6480763 
1 1 1 2  13 24 o 0.9971358      0.4405073     1.159900       0.6168845     0.8277854      0.6292421 
1 1 1 2  13 25 o -0.1419599     0.4308329     -0.1733441     0.5939561     -0.1071118     0.6258758 
1 1 1 2  13 26 o -0.3877760     0.4229922     -1.217720      0.5810499     0.5479438      0.6169669 
1 1 1 2  13 27 o 0.5016801      0.4366701     0.4892687      0.6017166     0.5154892      0.6346915 
1 1 1 2  13 28 o -0.9369506E-01 0.4579917     -0.3953094     0.6296203     0.2452301      0.6674282 
1 1 1 2  13 29 o 0.4998476      0.4597332     0.4857742      0.6385627     0.5149921      0.6624149 
1 1 1 2  13 30 o 1.046198       0.4824794     0.8959783      0.6667349     1.211343       0.6990708 
1 1 1 2  13 31 o 0.1644953      0.5066823     0.1888753      0.6954103     0.1369067      0.7397582 
1 1 1 2  13 32 o -0.8400065     0.5300921     -1.089181      0.7460380     -0.5859292     0.7533421 
1 1 1 2  13 33 o 0.1258509      0.5519198     -0.3858808     0.7697067     0.6674197      0.7918282 
1 1 1 2  14 0  o 213.2448       3.192501      213.2448       2.257439      ?              ?         
1 1 1 2  14 1  o 82.43428       0.9965165     80.71325       1.352279      84.47956       1.474172  
1 1 1 2  14 2  o 19.14769       0.4737929     18.72390       0.6280897     19.70723       0.7217125 
1 1 1 2  14 3  o 195.4226       2.030074      198.2168       2.800456      192.3281       2.947069  
1 1 1 2  14 4  o 13.78718       0.4350992     14.43788       0.5855749     12.98513       0.6501206 
1 1 1 2  14 5  f 316.3557       2.996767      317.3175       4.225396      315.3822       4.250855  
1 1 1 2  14 6  o 24.88882       0.4740020     25.61905       0.7043496     24.28438       0.6408246 
1 1 1 2  14 7  o 35.74354       0.5687156     35.43806       0.8318475     36.01163       0.7792929 
1 1 1 2  14 8  f 30.46533       0.5343681     29.92020       0.7827823     30.94106       0.7312664 
1 1 1 2  14 9  o 114.4616       1.225776      115.8520       1.799877      113.2589       1.673980  
1 1 1 2  14 10 o 50.36488       0.6941079     52.18877       1.038825      48.89390       0.9329255 
1 1 1 2  14 11 o 91.38431       1.010822      93.01400       1.442889      89.81366       1.416511  
1 1 1 2  14 12 o 5.073863       0.3891997     5.616470       0.5505067     4.531631       0.5503163 
1 1 1 2  14 13 o 48.53808       0.6788631     48.76707       0.9687490     48.31713       0.9515956 
1 1 1 2  14 14 o 2.092200       0.4039838     2.428326       0.5635383     1.736846       0.5794319 
1 1 1 2  14 15 o 12.02215       0.4608218     11.97501       0.6505051     12.06963       0.6529024 
1 1 1 2  14 16 o 20.14467       0.5357228     21.24640       0.7897883     19.20574       0.7290987 
1 1 1 2  14 17 o 20.24669       0.5498300     19.40944       0.7853807     21.05146       0.7700014 
1 1 1 2  14 18 o 30.69580       0.6460617     32.56128       0.9245099     28.91532       0.9032011 
1 1 1 2  14 19 o 9.060779       0.5191803     9.311517       0.7418033     8.820023       0.7268876 
1 1 1 2  14 20 o 0.6301586      0.4716152     0.4570670      0.6808368     0.7898283      0.6539073 
1 1 1 2  14 21 o 2.114253       0.4652596     2.066378       0.6669005     2.159649       0.6494014 
1 1 1 2  14 22 o 1.589692       0.4538693     0.8532889      0.6425599     2.322932       0.6411785 
1 1 1 2  14 23 o 0.3848127      0.4425551     0.4316854      0.6321045     0.3397454      0.6198115 
1 1 1 2  14 24 f 0.6929019      0.4299597     0.5561460      0.5869957     0.8512091      0.6315564 
1 1 1 2  14 25 o 1.470042       0.4375300     1.458897       0.6075370     1.482050       0.6306308 
1 1 1 2  14 26 o -0.1217601     0.4342001     0.6412928      0.5956157     -0.9871845     0.6343127 
1 1 1 2  14 27 o 1.219130       0.4397449     1.348086       0.6061543     1.075852       0.6389255 
1 1 1 2  14 28 o 2.762076       0.4688506     2.593158       0.6513332     2.943724       0.6754332 
1 1 1 2  14 29 o 0.1576533      0.4756927     0.3337672      0.6433115     -0.5481413E-01 0.7065952 
1 1 1 2  14 30 o 0.4700142      0.5005949     0.6927941      0.6936736     0.2279043      0.7231417 
1 1 1 2  14 31 o 0.3268228      0.5249950     0.8880020      0.7227454     -0.3000371     0.7638706 
1 1 1 2  14 32 f 0.3583995      0.5574754     0.9353995E-01  0.7617149     0.6639057      0.8180779 
1 1 1 2  14 33 o -0.3320434     0.5969797     -0.2773639     0.8575186     -0.3834664     0.8315918 
1 1 1 2  15 0  o 17.16997       0.7265962     17.16997       0.5137811     ?              ?         
1 1 1 2  15 1  f 21.72020       0.5146139     21.64331       0.6904872     21.81627       0.7718365 
1 1 1 2  15 2  o 44.63836       0.6855300     44.24935       0.9265594     45.10885       1.018991  
1 1 1 2  15 3  o 11.08898       0.4620284     11.00248       0.6128003     11.20292       0.7033278 
1 1 1 2  15 4  o 35.08340       0.6321191     35.90815       0.8364476     33.98516       0.9652202 
1 1 1 2  15 5  o 8.967099       0.4383568     9.140898       0.6119365     8.783914       0.6282456 
1 1 1 2  15 6  o 7.496160       0.4253906     6.937605       0.5924903     8.090410       0.6111290 
1 1 1 2  15 7  o 148.3000       1.533503      146.6326       2.223747      149.8121       2.117549  
1 1 1 2  15 8  f 47.52917       0.6884652     48.22681       1.015261      46.93526       0.9367450 
1 1 1 2  15 9  o 27.45151       0.5474485     28.99031       0.8156595     26.19008       0.7384970 
1 1 1 2  15 10 o 28.39866       0.5504918     28.53302       0.8230549     28.28990       0.7404990 
1 1 1 2  15 11 o 7.547050       0.4303617     8.175776       0.6502708     7.057037       0.5740732 
1 1 1 2  15 12 o 30.51052       0.5670559     30.61753       0.8059788     30.40564       0.7979577 
1 1 1 2  15 13 o 13.23709       0.4558301     13.81076       0.6642668     12.72654       0.6266581 
1 1 1 2  15 14 o 25.74417       0.5610479     26.16509       0.8028429     25.34240       0.7843629 
1 1 1 2  15 15 o 5.196485       0.4676236     6.980082       0.6632659     3.433671       0.6593903 
1 1 1 2  15 16 o 1.473019       0.4670499     1.775483       0.6768485     1.198097       0.6452971 
1 1 1 2  15 17 f 9.629599       0.5034155     9.608970       0.7214023     9.649180       0.7028348 
1 1 1 2  15 18 o 15.21125       0.5549056     15.48094       0.7881352     14.94612       0.7814179 
1 1 1 2  15 19 o 21.78600       0.5904047     22.45616       0.8436525     21.14277       0.8265275 
1 1 1 2  15 20 o 5.699547       0.4942006     5.404869       0.6973324     5.996899       0.7004889 
1 1 1 2  15 21 o 2.463386       0.4604789     2.303872       0.6354513     2.639774       0.6682143 
1 1 1 2  15 22 o 0.8780491      0.4505695     1.653552       0.6429136     0.1295076      0.6316389 
1 1 1 2  15 23 f 2.826886       0.4550290     2.752467       0.6368533     2.904499       0.6503761 
1 1 1 2  15 24 o 1.985748       0.4454591     2.106263       0.6105914     1.848617       0.6513287 
1 1 1 2  15 25 o 0.5869167      0.4406849     0.3378156      0.6155154     0.8488970      0.6312267 
1 1 1 2  15 26 o 2.157269       0.4491771     1.254281       0.6170349     3.175232       0.6551408 
1 1 1 2  15 27 f 1.119430       0.4545530     1.558086       0.6436683     0.6830378      0.6420050 
1 1 1 2  15 28 o 1.880336       0.4679165     1.347460       0.6476387     2.462265       0.6767913 
1 1 1 2  15 29 o 2.436547       0.5599543     2.997469       0.7748665     1.823457       0.8100979 
1 1 1 2  15 30 o 0.6548153      0.5270417     0.8592334      0.7367873     0.4406110      0.7542172 
1 1 1 2  15 31 o 0.4014774      0.5485908     0.1743332      0.7720062     0.6331718      0.7797003 
1 1 1 2  15 32 o 0.4667180      0.5548213     0.6472993      0.7725818     0.2744101      0.7972723 
1 1 1 2  16 0  o 68.73059       1.341238      68.73059       0.9483988     ?              ?         
1 1 1 2  16 1  o 28.82439       0.6121027     27.33492       0.8187454     30.71179       0.9216509 
1 1 1 2  16 2  o 95.97617       1.158570      96.67077       1.581759      95.17219       1.701742  
1 1 1 2  16 3  o 69.86683       0.9302409     70.09066       1.260640      69.59926       1.378344  
1 1 1 2  16 4  o 3.871803       0.4706593     3.433650       0.6192098     4.471305       0.7243031 
1 1 1 2  16 5  o 9.687613       0.4734356     9.764187       0.6563551     9.604563       0.6835506 
1 1 1 2  16 6  o 94.08131       1.111951      95.67138       1.570298      92.48214       1.574785  
1 1 1 2  16 7  f 47.52560       0.7232534     46.84976       1.014768      48.22336       1.031097  
1 1 1 2  16 8  o 24.65397       0.5359145     25.32159       0.7981600     24.10590       0.7231717 
1 1 1 2  16 9  o 19.02400       0.5081815     18.23020       0.7546638     19.68258       0.6873920 
1 1 1 2  16 10 o 14.79359       0.4924143     14.32379       0.7293642     15.18706       0.6674989 
1 1 1 2  16 11 o 41.99588       0.6813297     41.15517       1.003217      42.71561       0.9282370 
1 1 1 2  16 12 o 32.13610       0.6150202     30.43844       0.9157401     33.53106       0.8300932 
1 1 1 2  16 13 o 5.931076       0.4646123     5.871997       0.6582704     5.989723       0.6558585 
1 1 1 2  16 14 o 0.6398969      0.4475496     0.4687451      0.6359853     0.8077995      0.6299198 
1 1 1 2  16 15 o 15.94092       0.5324268     16.29414       0.7629364     15.60559       0.7433752 
1 1 1 2  16 16 f 0.7124219      0.4802324     1.272139       0.6828119     0.1645491      0.6755487 
1 1 1 2  16 17 o 2.669713       0.4873505     2.318275       0.7013490     2.997846       0.6776947 
1 1 1 2  16 18 o 0.2746418      0.4600908     0.5686317      0.6687198     0.1038647E-01  0.6340008 
1 1 1 2  16 19 o 5.288180       0.4912557     4.334674       0.6754998     6.358626       0.7157249 
1 1 1 2  16 20 o 5.879564       0.4938374     6.049222       0.7036911     5.714923       0.6932099 
1 1 1 2  16 21 o 0.5237424      0.4425849     0.3585106      0.6179991     0.6977134      0.6341318 
1 1 1 2  16 22 o 2.788532       0.4488595     2.364341       0.6367800     3.207445       0.6328052 
1 1 1 2  16 23 o 3.254330       0.4402188     2.827980       0.6106622     3.715616       0.6351889 
1 1 1 2  16 24 f 1.877650       0.4588778     1.040488       0.6416892     2.753811       0.6564654 
1 1 1 2  16 25 o 0.6817333      0.4488102     0.6269202      0.6324579     0.7373353      0.6369934 
1 1 1 2  16 26 o 2.167543       0.4564798     1.187093       0.6306455     3.246555       0.6615852 
1 1 1 2  16 27 f 0.7472369      0.4626652     1.019695       0.6499583     0.4673623      0.6587451 
1 1 1 2  16 28 o -0.8367944     0.4886431     -0.4886736     0.6840575     -1.199513      0.6982525 
1 1 1 2  16 29 o 0.8786045      0.5134843     0.5409759      0.7150689     1.238057       0.7378182 
1 1 1 2  16 30 f 1.664761       0.5438449     2.825166       0.7685362     0.5008661      0.7696908 
1 1 1 2  16 31 o 0.2290490      0.5509241     -0.4310807     0.7801102     0.8858519      0.7781420 
1 1 1 2  17 0  o 47.50391       1.052629      47.50391       0.7443209     ?              ?         
1 1 1 2  17 1  o 14.24249       0.5499411     14.54920       0.7345203     13.85123       0.8295988 
1 1 1 2  17 2  o 21.07124       0.5776315     21.05228       0.7666098     21.09615       0.8785787 
1 1 1 2  17 3  o 30.33287       0.6385139     29.42916       0.8493667     31.50728       0.9682598 
1 1 1 2  17 4  o 7.349283       0.5014113     7.424142       0.6688372     7.253224       0.7576419 
1 1 1 2  17 5  f 2.689949       0.4616539     2.464053       0.6505171     2.919153       0.6552632 
1 1 1 2  17 6  o 7.500591       0.4835632     8.197158       0.6786330     6.782136       0.6892130 
1 1 1 2  17 7  o 68.66364       0.9063655     69.46559       1.288021      67.87702       1.275657  
1 1 1 2  17 8  o 54.21800       0.7990330     54.95345       1.127554      53.47613       1.132469  
1 1 1 2  17 9  o 5.734404       0.4698820     6.387297       0.6919443     5.175671       0.6401062 
1 1 1 2  17 10 f 45.01725       0.7212673     43.59727       1.053434      46.27037       0.9896072 
1 1 1 2  17 11 f 16.01223       0.5321921     17.04211       0.8080369     15.22323       0.7072576 
1 1 1 2  17 12 o 27.85262       0.6154421     26.27422       0.9074721     29.19689       0.8374696 
1 1 1 2  17 13 o 17.92368       0.5588436     17.45892       0.8436484     18.28706       0.7459812 
1 1 1 2  17 14 o 2.618098       0.4816742     2.334648       0.6820567     2.900112       0.6803270 
1 1 1 2  17 15 o 36.82567       0.6616269     37.84969       0.9400122     35.82030       0.9314107 
1 1 1 2  17 16 o 4.547158       0.4742544     4.325093       0.6653908     4.776450       0.6761321 
1 1 1 2  17 17 o 10.69968       0.5035235     10.45781       0.7179442     10.93382       0.7063764 
1 1 1 2  17 18 o 3.118454       0.4805115     2.780484       0.6914595     3.434096       0.6682277 
1 1 1 2  17 19 o 1.572681       0.4476821     1.351637       0.6512563     1.770707       0.6164157 
1 1 1 2  17 20 f 0.9036832      0.4590122     0.9296359      0.6343522     0.8751611      0.6650155 
1 1 1 2  17 21 f 3.014903       0.4669107     2.553272       0.6473398     3.515483       0.6740956 
1 1 1 2  17 22 o 3.188495       0.4527019     5.537654       0.6379279     0.8053111      0.6425312 
1 1 1 2  17 23 o 8.466285       0.4916236     8.119341       0.6923180     8.819191       0.6982413 
1 1 1 2  17 24 o 2.629605       0.4681157     1.794992       0.6492035     3.533514       0.6756175 
1 1 1 2  17 25 o 3.756661       0.4732268     3.413625       0.6623976     4.114254       0.6763068 
1 1 1 2  17 26 o 0.9893418      0.4662797     1.178477       0.6639166     0.8052458      0.6550117 
1 1 1 2  17 27 o -0.3780163E-01 0.5004125     0.3288342      0.7054965     -0.4090329     0.7099042 
1 1 1 2  17 28 o 0.4788805      0.5123492     0.6918293      0.7321925     0.2745728      0.7171830 
1 1 1 2  17 29 o -0.5060279     0.5135095     -0.5683188     0.7152088     -0.4397506     0.7377393 
1 1 1 2  17 30 o 0.8395733      0.5571236     0.9957817      0.7828610     0.6792841      0.7930208 
1 1 1 2  18 0  o 4.610203       0.6863865     4.610203       0.4853486     ?              ?         
1 1 1 2  18 1  o 13.88906       0.5691190     13.79134       0.7653064     14.00996       0.8512473 
1 1 1 2  18 2  o 7.768828       0.5329503     7.216908       0.7222350     8.428650       0.7896845 
1 1 1 2  18 3  o 21.89431       0.6028973     21.75029       0.7965940     22.08743       0.9224318 
1 1 1 2  18 4  o 19.35745       0.5837293     19.11848       0.7833299     19.65586       0.8753499 
1 1 1 2  18 5  o 28.97962       0.6269137     28.59439       0.8788461     29.37874       0.8945420 
1 1 1 2  18 6  f 25.02289       0.6123967     23.64482       0.8508419     26.50416       0.8821242 
1 1 1 2  18 7  o 30.46132       0.6320220     30.35313       0.8878165     30.57249       0.8999348 
1 1 1 2  18 8  o 9.519635       0.5376714     9.262207       0.7568867     9.781874       0.7639265 
1 1 1 2  18 9  o 19.79666       0.5951427     20.40134       0.8348356     19.17179       0.8486521 
1 1 1 2  18 10 o 3.706632       0.4975145     4.076606       0.7195108     3.367681       0.6886846 
1 1 1 2  18 11 o 29.63079       0.6377042     28.24633       0.9291034     30.86393       0.8768621 
1 1 1 2  18 12 o 27.31302       0.6320316     25.58655       0.9422178     28.72536       0.8522010 
1 1 1 2  18 13 o 32.63398       0.6643779     32.45228       0.9938723     32.78077       0.8932987 
1 1 1 2  18 14 f 11.68451       0.5414007     11.47263       0.8208810     11.84763       0.7202612 
1 1 1 2  18 15 o 15.39274       0.5119283     15.06512       0.7103909     15.74668       0.7383716 
1 1 1 2  18 16 o 12.07738       0.4924468     12.07320       0.7025635     12.08142       0.6904446 
1 1 1 2  18 17 o 2.713324       0.4726574     3.600671       0.6564939     1.758324       0.6810599 
1 1 1 2  18 18 o 4.398953       0.4444160     4.370500       0.5958220     4.434635       0.6672189 
1 1 1 2  18 19 o 11.08490       0.4950961     10.79545       0.7094945     11.35962       0.6912070 
1 1 1 2  18 20 o 8.327711       0.4733660     7.871950       0.6961799     8.719607       0.6455631 
1 1 1 2  18 21 o 4.538465       0.4694647     4.205398       0.6527628     4.895325       0.6756765 
1 1 1 2  18 22 f 1.336248       0.4577678     1.128346       0.6317016     1.566154       0.6642898 
1 1 1 2  18 23 o 0.3995744      0.4493746     0.9593259      0.6325859     -0.1706535     0.6384783 
1 1 1 2  18 24 o 1.743534       0.4592963     1.876256       0.6300575     1.593022       0.6709561 
1 1 1 2  18 25 o 2.400537       0.4675775     2.938155       0.6566003     1.847402       0.6660090 
1 1 1 2  18 26 o 1.408493       0.4830465     1.802290       0.6988068     1.048151       0.6684647 
1 1 1 2  18 27 o 1.821410       0.5014331     1.146682       0.7117723     2.486224       0.7065240 
1 1 1 2  18 28 o 0.5185197      0.5330763     1.156649       0.7588398     -0.1032074     0.7490236 
1 1 1 2  18 29 o 0.7598100      0.5590915     1.938003       0.8026760     -0.3504626     0.7791963 
1 1 1 2  18 30 o -0.4930477     0.5912794     0.6253130E-01  0.8401758     -1.038222      0.8322712 
1 1 1 2  19 0  f 53.04165       1.153576      53.04165       0.8157012     ?              ?         
1 1 1 2  19 1  o 6.258164       0.5499733     6.365709       0.7230204     6.110497       0.8472214 
1 1 1 2  19 2  o 1.791764       0.5580840     1.460557       0.7534328     2.194401       0.8307144 
1 1 1 2  19 3  o 11.65388       0.5994300     11.32090       0.7982898     12.08434       0.9076439 
1 1 1 2  19 4  o 2.863039       0.5572477     3.222558       0.7455829     2.408051       0.8387538 
1 1 1 2  19 5  o 3.948744       0.5148821     4.552247       0.7378569     3.375976       0.7188227 
1 1 1 2  19 6  o 33.89077       0.6814311     33.47969       0.9519850     34.32270       0.9758358 
1 1 1 2  19 7  f 57.71567       0.8479895     55.18803       1.163716      60.57735       1.238225  
1 1 1 2  19 8  o 27.67107       0.6581389     27.41294       0.9194454     27.94228       0.9424797 
1 1 1 2  19 9  o 15.63861       0.5834639     15.11702       0.8242435     16.16249       0.8260446 
1 1 1 2  19 10 o 14.60299       0.5761616     14.57053       0.8057236     14.63696       0.8242223 
1 1 1 2  19 11 o 5.018774       0.5061542     5.547268       0.7509035     4.578696       0.6852179 
1 1 1 2  19 12 o 0.6061282      0.4968835     0.3280356      0.7440774     0.8299500      0.6675361 
1 1 1 2  19 13 f 0.6572927      0.4927579     1.191309       0.7154138     0.1752800      0.6796877 
1 1 1 2  19 14 f 3.663692       0.4931887     3.261408       0.7285569     4.003969       0.6700579 
1 1 1 2  19 15 o 3.842037       0.4912845     4.897154       0.7290343     2.964282       0.6649427 
1 1 1 2  19 16 o 2.528893       0.4529971     2.535957       0.6334010     2.521498       0.6481219 
1 1 1 2  19 17 f 1.254507       0.4401789     0.9068310      0.6160033     1.617264       0.6292210 
1 1 1 2  19 18 o 1.139381       0.4487872     0.8349060      0.6423820     1.429682       0.6272503 
1 1 1 2  19 19 o 1.142366       0.4422141     0.3663282      0.6407059     1.848373       0.6111135 
1 1 1 2  19 20 o 3.946810       0.4570039     3.683756       0.6538885     4.197999       0.6389718 
1 1 1 2  19 21 o 0.3424741      0.4594036     0.2011216      0.6276961     0.5055381      0.6741814 
1 1 1 2  19 22 o 2.264940       0.4811849     2.252036       0.6793085     2.277934       0.6816941 
1 1 1 2  19 23 o 2.179188       0.4832615     2.292358       0.6608843     2.049136       0.7084637 
1 1 1 2  19 24 o 3.251122       0.4988885     2.639954       0.6951692     3.900153       0.7163785 
1 1 1 2  19 25 o 3.381126       0.5058050     2.741722       0.7281780     3.977269       0.7031130 
1 1 1 2  19 26 o 0.9007659      0.5212013     1.944498       0.7167318     -0.2705886     0.7592875 
1 1 1 2  19 27 o 0.5661089      0.5224144     -0.4169719     0.7505716     1.489874       0.7275760 
1 1 1 2  19 28 o -0.4131780E-01 0.5557669     0.2803652      0.7804443     -0.3722806     0.7916212 
1 1 1 2  19 29 o -0.5369461     0.5451847     -0.4472943     0.7699203     -0.6271061     0.7720996 
1 1 1 2  20 0  o 8.308241       0.7900743     8.308241       0.5586669     ?              ?         
1 1 1 2  20 1  o 4.522990       0.5735484     5.083514       0.7712854     3.829599       0.8578411 
1 1 1 2  20 2  o 14.43442       0.5976186     14.05833       0.7880899     14.94333       0.9167461 
1 1 1 2  20 3  o 6.432661       0.5852789     6.550475       0.7692373     6.270697       0.9019269 
1 1 1 2  20 4  o 2.891601       0.5446680     3.174152       0.7681834     2.605950       0.7723876 
1 1 1 2  20 5  o 0.5649588      0.5349734     0.8671175      0.7350274     0.2245912      0.7801176 
1 1 1 2  20 6  o 11.17271       0.5698134     9.551717       0.7838682     12.98909       0.8297645 
1 1 1 2  20 7  o 10.76466       0.5670831     10.34389       0.7759731     11.24696       0.8307825 
1 1 1 2  20 8  o 12.96346       0.5828446     13.74504       0.8076990     12.11430       0.8418977 
1 1 1 2  20 9  o 19.16444       0.6091156     18.46910       0.8419206     19.92814       0.8823392 
1 1 1 2  20 10 o 12.54329       0.5534065     12.16684       0.7603772     12.96730       0.8069692 
1 1 1 2  20 11 o 13.37394       0.5692594     12.85068       0.7966013     13.92001       0.8137823 
1 1 1 2  20 12 f 9.174932       0.5141843     8.823211       0.7575346     9.475409       0.7001801 
1 1 1 2  20 13 o 1.980493       0.4857700     2.061610       0.7103892     1.909251       0.6657470 
1 1 1 2  20 14 o 0.9227571      0.4669683     0.6861159      0.6882879     1.124579       0.6356360 
1 1 1 2  20 15 o 1.157075       0.4719299     0.4148215      0.7032861     1.765082       0.6365170 
1 1 1 2  20 16 o 0.7115251      0.4717575     0.7198381      0.7067327     0.7048441      0.6335779 
1 1 1 2  20 17 o 4.074750       0.4768779     3.979181       0.7204155     4.149286       0.6362194 
1 1 1 2  20 18 o 1.395703       0.4316205     1.124400       0.5852517     1.719233       0.6391044 
1 1 1 2  20 19 o 4.332645       0.4565646     4.327124       0.6458476     4.338161       0.6455122 
1 1 1 2  20 20 o 8.212469       0.4862638     8.737447       0.7109962     7.751119       0.6665183 
1 1 1 2  20 21 o 2.872911       0.4633769     2.689233       0.6902732     3.023580       0.6251794 
1 1 1 2  20 22 o 3.000763       0.5046101     3.618983       0.7207317     2.406336       0.7067272 
1 1 1 2  20 23 o -0.8567730E-01 0.4876650     -0.3542555     0.6986023     0.1695798      0.6810572 
1 1 1 2  20 24 o 0.9054189      0.5112455     0.9040259      0.7300785     0.9067592      0.7161435 
1 1 1 2  20 25 o 1.971106       0.5362569     1.685633       0.7722691     2.236929       0.7452177 
1 1 1 2  20 26 o 0.2100729      0.5431460     1.137609       0.7476007     -0.8268003     0.7904367 
1 1 1 2  20 27 o 0.6232669      0.5515019     1.032794       0.7861339     0.2263939      0.7738929 
1 1 1 2  20 28 o -0.7820988     0.5402250     -0.4046023     0.7463864     -1.197443      0.7829086 
1 1 1 2  21 0  o 10.52774       0.7713539     10.52774       0.5454296     ?              ?         
1 1 1 2  21 1  o 53.73801       0.8897488     53.54184       1.208899      53.96986       1.314287  
1 1 1 2  21 2  o 31.34826       0.7483289     32.24347       1.025887      30.33026       1.093986  
1 1 1 2  21 3  f 16.39337       0.6409515     16.68230       0.8517613     16.01616       0.9732168 
1 1 1 2  21 4  o 16.01733       0.5939379     15.78969       0.8527575     16.23179       0.8277125 
1 1 1 2  21 5  o 22.19025       0.6293783     21.32243       0.8626848     23.17775       0.9202524 
1 1 1 2  21 6  o 9.024515       0.5699596     8.464413       0.7868869     9.642689       0.8266733 
1 1 1 2  21 7  f 9.168493       0.5465453     8.791300       0.7758164     9.540128       0.7700792 
1 1 1 2  21 8  o 4.195864       0.5246735     4.121567       0.7186674     4.280659       0.7677644 
1 1 1 2  21 9  o 4.657280       0.5312165     4.158698       0.7492503     5.161231       0.7532730 
1 1 1 2  21 10 f 19.96323       0.6005774     19.28433       0.8340812     20.69421       0.8654780 
1 1 1 2  21 11 f 12.32753       0.5628502     11.99081       0.7870593     12.67997       0.8052327 
1 1 1 2  21 12 o 5.037282       0.5211372     5.794473       0.7443055     4.309109       0.7299041 
1 1 1 2  21 13 o 9.288637       0.5079663     10.34723       0.7440339     8.364453       0.6951961 
1 1 1 2  21 14 o 10.63526       0.5193573     10.96830       0.7511098     10.33015       0.7189120 
1 1 1 2  21 15 o 4.801220       0.4828821     4.661043       0.7174552     4.917306       0.6528978 
1 1 1 2  21 16 o 9.817248       0.5127299     10.65448       0.7873741     9.200831       0.6756091 
1 1 1 2  21 17 f 2.008381       0.4781266     3.267596       0.7256497     1.042276       0.6356077 
1 1 1 2  21 18 o 5.772799       0.4958127     5.605813       0.7420740     5.907459       0.6663867 
1 1 1 2  21 19 o 1.727902       0.4521456     1.654584       0.6469404     1.797911       0.6321760 
1 1 1 2  21 20 o -0.3266841     0.4494935     -0.8564273     0.6421318     0.1822903      0.6294184 
1 1 1 2  21 21 o 0.7849323      0.4730392     0.6112919      0.7022409     0.9291721      0.6400347 
1 1 1 2  21 22 o 1.643589       0.4894771     1.120401       0.7245927     2.082723       0.6638404 
1 1 1 2  21 23 o 0.8860747      0.5174613     0.3489712      0.7334743     1.418304       0.7301387 
1 1 1 2  21 24 o 0.3207226E-01  0.5338517     0.9294165      0.7767779     -0.7711689     0.7349204 
1 1 1 2  21 25 o 0.5133706E-01  0.5420201     0.8714796      0.7802631     -0.7135116     0.7535016 
1 1 1 2  21 26 o 0.7759007      0.5579618     1.237403       0.7908042     0.3184079      0.7873613 
1 1 1 2  21 27 f 1.088162       0.6930624     2.347801       0.9924354     -0.1109224     0.9682871 
1 1 1 2  22 0  o 1.721305       0.7997463     1.721305       0.5655060     ?              ?         
1 1 1 2  22 1  o 1.304392       0.5755764     0.9402357      0.7558188     1.807116       0.8880526 
1 1 1 2  22 2  o 22.29289       0.6848733     22.09833       0.9099786     22.54709       1.040132  
1 1 1 2  22 3  o 20.95422       0.6781738     21.28083       0.9114150     20.54907       1.015108  
1 1 1 2  22 4  f 22.84541       0.6375365     22.31845       0.8852295     23.41327       0.9189407 
1 1 1 2  22 5  o 13.78439       0.5826301     12.97843       0.8086996     14.65421       0.8401254 
1 1 1 2  22 6  o 2.328442       0.5283985     2.763159       0.7391638     1.874122       0.7556455 
1 1 1 2  22 7  o 0.3882030      0.5093527     0.3224944      0.7049668     0.4599703      0.7367509 
1 1 1 2  22 8  o 3.125221       0.5666198     2.171081       0.7955040     4.107791       0.8072683 
1 1 1 2  22 9  o 2.160140       0.5131613     1.722637       0.7312918     2.584558       0.7202731 
1 1 1 2  22 10 f 5.684627       0.5162951     5.721276       0.7309434     5.648136       0.7293621 
1 1 1 2  22 11 f 4.042814       0.5062519     4.482720       0.7154126     3.601588       0.7164851 
1 1 1 2  22 12 o 7.970145       0.5388771     7.609459       0.7621550     8.330702       0.7620198 
1 1 1 2  22 13 o 0.7071085      0.5002049     0.8538113E-01  0.7036247     1.342348       0.7112298 
1 1 1 2  22 14 o 4.645201       0.4978795     4.787157       0.7465646     4.531497       0.6681578 
1 1 1 2  22 15 o 5.889589       0.4963213     5.987747       0.7460920     5.811670       0.6647396 
1 1 1 2  22 16 f 2.388799       0.4928083     2.838294       0.7523059     2.050937       0.6522307 
1 1 1 2  22 17 o 4.207169       0.5055895     3.251420       0.7437957     5.028069       0.6893298 
1 1 1 2  22 18 f 1.269380       0.4944290     1.420357       0.7260509     1.138820       0.6751743 
1 1 1 2  22 19 o 0.3494397      0.4851404     0.7878738      0.7439871     0.2510039E-01  0.6399014 
1 1 1 2  22 20 o 0.7359871      0.4647569     0.3459136      0.6545796     1.132529       0.6599848 
1 1 1 2  22 21 o 2.464452       0.5072082     2.761606       0.7627155     2.228853       0.6791387 
1 1 1 2  22 22 f 3.203669       0.5274279     3.544949       0.8072578     2.949476       0.6966888 
1 1 1 2  22 23 o 1.138031       0.5541251     1.381029       0.8137286     0.9279112      0.7566803 
1 1 1 2  22 24 f 3.312560       0.5931464     3.160481       0.8515984     3.455852       0.8266302 
1 1 1 2  22 25 o 1.045082       0.5757562     1.362323       0.8591273     0.7864422      0.7757290 
1 1 1 2  23 0  o 1.791246       0.7713103     1.791246       0.5453988     ?              ?         
1 1 1 2  23 1  o 4.384070       0.5933440     4.020388       0.7970753     4.836063       0.8885956 
1 1 1 2  23 2  o -0.4725834     0.5837402     0.2146758      0.7772182     -1.361956      0.8841469 
1 1 1 2  23 3  f 0.1742822      0.5689529     -0.2190985     0.7394143     0.7452483      0.8908128 
1 1 1 2  23 4  o 0.5850440      0.5367541     0.5951036      0.7598110     0.5750228      0.7583610 
1 1 1 2  23 5  o 3.042619       0.5468253     2.654855       0.7721652     3.432728       0.7744955 
1 1 1 2  23 6  f 0.3584678      0.5296351     0.3192214      0.7477495     0.3979815      0.7502913 
1 1 1 2  23 7  o 1.985913       0.5309806     1.056113       0.7476948     2.931931       0.7541872 
1 1 1 2  23 8  o 2.265817       0.5188383     1.952367       0.7201385     2.604136       0.7481597 
1 1 1 2  23 9  o 2.466838       0.5168703     2.029986       0.7424333     2.877703       0.7200121 
1 1 1 2  23 10 o 7.072885       0.5504116     7.183711       0.7842845     6.965324       0.7726450 
1 1 1 2  23 11 o 13.97451       0.5848069     13.01376       0.8261462     14.93943       0.8279402 
1 1 1 2  23 12 o 6.413978       0.5390139     6.459691       0.7719049     6.370477       0.7530079 
1 1 1 2  23 13 o 13.43437       0.5818993     13.45237       0.8256485     13.41661       0.8202378 
1 1 1 2  23 14 o 4.074008       0.5363639     4.628636       0.7750484     3.564258       0.7430304 
1 1 1 2  23 15 f 0.7514154      0.4888479     0.7280908      0.7593022     0.7679276      0.6388635 
1 1 1 2  23 16 o 1.377663       0.5104528     0.9503633      0.7702988     1.712215       0.6815917 
1 1 1 2  23 17 o 1.256156       0.5071285     1.315397       0.7646741     1.209641       0.6775753 
1 1 1 2  23 18 o 1.248505       0.5152733     1.617737       0.7918890     0.9773810      0.6785765 
1 1 1 2  23 19 o 0.9280189      0.5331419     0.2912572E-01  0.8125787     1.607465       0.7064623 
1 1 1 2  23 20 o 0.9914955      0.5297408     1.274960       0.8151987     0.7842997      0.6969546 
1 1 1 2  23 21 o 1.180813       0.5333991     0.5088774      0.8078181     1.700233       0.7102467 
1 1 1 2  23 22 o 1.688560       0.5354337     1.797634       0.7970284     1.598848       0.7228323 
1 1 1 2  23 23 o 0.1603231      0.5447073     -0.6169621     0.7934111     0.8533176      0.7491572 
1 1 1 2  23 24 o 0.1720724      0.5630374     0.2540282      0.8077847     0.9463427E-01  0.7852056 
1 1 1 2  24 0  o 9.156062       0.8042071     9.156062       0.5686603     ?              ?         
1 1 1 2  24 1  o 7.384986       0.5503873     7.718074       0.7900660     7.070925       0.7671694 
1 1 1 2  24 2  o 11.75298       0.6251850     12.18549       0.8279534     11.17926       0.9535881 
1 1 1 2  24 3  o 9.076300       0.6277007     8.993608       0.8252378     9.189817       0.9669049 
1 1 1 2  24 4  o 2.200025       0.5459644     2.540096       0.7954983     1.897200       0.7506709 
1 1 1 2  24 5  o 1.812243       0.5531248     0.8051468      0.7783806     2.839546       0.7861506 
1 1 1 2  24 6  f 4.919999       0.5401640     5.048301       0.7738319     4.798074       0.7543548 
1 1 1 2  24 7  o 5.745985       0.5580363     6.151460       0.7888272     5.339777       0.7895384 
1 1 1 2  24 8  o 1.292126       0.5402724     0.7632338      0.7577562     1.838993       0.7705250 
1 1 1 2  24 9  o 2.568206       0.5493788     2.218199       0.7876858     2.899742       0.7666203 
1 1 1 2  24 10 o 1.068441       0.5343003     1.409528       0.7632369     0.7406470      0.7482164 
1 1 1 2  24 11 o 4.804906       0.5790520     4.591320       0.8254256     5.011873       0.8125331 
1 1 1 2  24 12 f 4.571864       0.5555881     4.491357       0.7841862     4.653004       0.7872635 
1 1 1 2  24 13 f 3.909608       0.5590265     3.266893       0.7833582     4.576592       0.7980112 
1 1 1 2  24 14 o 4.662039       0.5630076     4.946788       0.8097793     4.395604       0.7833064 
1 1 1 2  24 15 o 5.492422       0.5545982     4.307269       0.7775388     6.719842       0.7912823 
1 1 1 2  24 16 o 5.936203       0.5501829     6.509574       0.7719475     5.344254       0.7843532 
1 1 1 2  24 17 o 1.114066       0.5334061     1.736819       0.8106064     0.6384742      0.7083852 
1 1 1 2  24 18 o 1.918815       0.5337579     1.888580       0.8023903     1.942814       0.7148640 
1 1 1 2  24 19 o 1.120812       0.5471331     0.8560531      0.8163167     1.336759       0.7372383 
1 1 1 2  24 20 o 0.5892572      0.5447963     1.548374       0.8491310     -0.8178248E-01 0.7102529 
1 1 1 2  24 21 f 0.5175139      0.5591508     -0.4331749     0.8496625     1.243752       0.7426203 
1 1 1 2  24 22 f 1.761053       0.5850131     2.561975       0.9266990     1.230382       0.7543210 
1 1 1 2  24 23 o 1.509515       0.5895426     0.8226053      0.8575174     2.125187       0.8118352 
1 1 1 2  25 0  f 20.54668       0.9513573     20.54668       0.6727112     ?              ?         
1 1 1 2  25 1  f 12.45175       0.6271472     12.34538       0.8827753     12.56014       0.8911238 
1 1 1 2  25 2  o 7.360445       0.6294297     6.599947       0.8396844     8.335864       0.9509611 
1 1 1 2  25 3  o 0.3532572      0.5574211     0.5110986      0.8073007     0.2094393      0.7706040 
1 1 1 2  25 4  o 1.910486       0.5835181     2.622620       0.8282245     1.208594       0.8222466 
1 1 1 2  25 5  o 1.246640       0.5405783     0.7448227      0.7762233     1.719229       0.7532792 
1 1 1 2  25 6  o 1.860628       0.5455421     1.523466       0.7530655     2.232977       0.7913861 
1 1 1 2  25 7  f 5.128859       0.5729993     5.587925       0.8033077     4.653350       0.8175672 
1 1 1 2  25 8  o 10.03255       0.6000515     10.07973       0.8349246     9.982143       0.8629721 
1 1 1 2  25 9  o 8.436822       0.5945545     8.416388       0.8395609     8.457379       0.8420990 
1 1 1 2  25 10 o 5.450204       0.5588798     5.195553       0.7868168     5.709516       0.7939827 
1 1 1 2  25 11 f 2.289042       0.5555828     1.354705       0.7822361     3.240177       0.7892362 
1 1 1 2  25 12 o 1.422179       0.5544732     1.237913       0.7859540     1.604757       0.7823456 
1 1 1 2  25 13 o 2.208648       0.5648892     2.088794       0.8009328     2.327277       0.7968309 
1 1 1 2  25 14 o 1.571435       0.5631219     2.038475       0.7915493     1.092830       0.8012893 
1 1 1 2  25 15 o 0.7195991      0.5685396     0.9002028      0.8199618     0.5523753      0.7890042 
1 1 1 2  25 16 o 0.4059012      0.5759602     0.4022450      0.8235172     0.4094020      0.8058320 
1 1 1 2  25 17 o 0.9368302      0.5697371     2.281248       0.8302169     -0.2598985     0.7832894 
1 1 1 2  25 18 o 0.3516910      0.5602812     -0.1900747E-01 0.8434089     0.6444966      0.7495791 
1 1 1 2  25 19 o 0.5402527      0.5556558     1.372942       0.8419730     -0.1022216     0.7395788 
1 1 1 2  25 20 o -0.6048616E-01 0.5470443     0.9389158      0.8215188     -0.8566792     0.7332576 
1 1 1 2  25 21 o 0.4630512E-01  0.5931243     -0.9605790     0.8678121     0.9289786      0.8125237 
1 1 1 2  26 0  o 8.163818       1.181400      8.163818       0.8353761     ?              ?         
1 1 1 2  26 1  o 5.527090       0.6079080     6.772107       0.8415396     4.168411       0.8791142 
1 1 1 2  26 2  o 4.170380       0.6278059     3.623630       0.8197426     4.946000       0.9763542 
1 1 1 2  26 3  o 1.182171       0.5793738     1.167295       0.8122894     1.197577       0.8266149 
1 1 1 2  26 4  o 0.6387734      0.5702470     0.7070415      0.7951245     0.5664719      0.8182759 
1 1 1 2  26 5  o 2.484506       0.5752279     3.120560       0.7929151     1.777848       0.8357656 
1 1 1 2  26 6  o 3.874932       0.5792946     3.164184       0.8004628     4.656539       0.8394172 
1 1 1 2  26 7  o 3.038450       0.5803578     3.186414       0.8018720     2.875684       0.8410273 
1 1 1 2  26 8  f 1.099940       0.5819505     1.367505       0.8268018     0.8372381      0.8192547 
1 1 1 2  26 9  o 0.8836614      0.5552910     0.7025003      0.8048643     1.048220       0.7670965 
1 1 1 2  26 10 o -0.1880650E-01 0.5817021     0.8573614      0.8272052     -0.8759415     0.8181713 
1 1 1 2  26 11 o 1.328781       0.5723130     0.8566272      0.8119815     1.794916       0.8067890 
1 1 1 2  26 12 o 0.4049450      0.5839288     0.3475064      0.8258082     0.4623812      0.8257917 
1 1 1 2  26 13 o 5.960669       0.6171607     6.279401       0.8777115     5.648977       0.8679642 
1 1 1 2  26 14 o 6.623033       0.6188384     5.634440       0.8753844     7.610654       0.8749549 
1 1 1 2  26 15 o 4.653945       0.6210945     4.200730       0.8697639     5.125531       0.8872167 
1 1 1 2  26 16 o 2.646158       0.6017685     1.601200       0.8483077     3.704634       0.8537770 
1 1 1 2  26 17 o -0.1430271E-01 0.5965554     0.3974376      0.8597899     -0.3965265     0.8283989 
1 1 1 2  26 18 o 0.9046807      0.6029466     0.7118273      0.8803439     1.075076       0.8274980 
1 1 1 2  26 19 o 1.928374       0.5766383     2.784440       0.8956957     1.322421       0.7535748 
1 1 1 2  27 0  o 8.144802       0.8854887     8.144802       0.6261351     ?              ?         
1 1 1 2  27 1  f 4.311481       0.6271002     3.880350       0.8951340     4.727021       0.8787987 
1 1 1 2  27 2  o 0.2222512      0.6104331     0.4766018      0.8894260     -0.4247262E-02 0.8393171 
1 1 1 2  27 3  f 6.279859       0.6313668     5.479756       0.9030593     7.044901       0.8830518 
1 1 1 2  27 4  o 5.926359       0.7438784     6.234604       0.9919695     5.530283       1.124447  
1 1 1 2  27 5  o 4.510731       0.6245063     4.658043       0.8666556     4.351619       0.9006984 
1 1 1 2  27 6  f 2.660865       0.6013073     2.795367       0.8361813     2.516825       0.8653211 
1 1 1 2  27 7  o 1.431008       0.6015756     2.492130       0.8387974     0.3071391      0.8632418 
1 1 1 2  27 8  o 1.115186       0.5981463     0.5553939      0.8288326     1.723604       0.8640811 
1 1 1 2  27 9  o 0.5057743      0.5993968     -0.2430662E-01 0.8501929     1.029622       0.8451796 
1 1 1 2  27 10 o -0.1787567     0.6045007     -0.4835037     0.8634733     0.1141711      0.8465635 
1 1 1 2  27 11 o 3.458553       0.6236310     3.842530       0.8823990     3.075361       0.8814967 
1 1 1 2  27 12 o 4.510004       0.6134687     4.049310       0.8772954     4.950832       0.8581722 
1 1 1 2  27 13 o 2.598068       0.6208286     2.548322       0.8754577     2.648392       0.8805326 
1 1 1 2  27 14 o 0.7979953      0.6296006     1.036419       0.8603692     0.5231262      0.9237893 
1 1 1 2  27 16 f 0.2817498      0.6128809     0.5662997      0.8596947     -0.1232914E-01 0.8739707 
1 1 1 2  27 17 o -0.1328860     0.5887203     -0.7460897     0.8209354     0.5163746      0.8447265 
1 1 1 2  28 0  o 1.465700       0.9438158     1.465700       0.6673785     ?              ?         
1 1 1 2  28 1  o 1.030334       0.6418508     0.6847404      0.9320995     1.341988       0.8851477 
1 1 1 2  28 2  o 1.851446       0.6008638     2.057276       0.8772218     1.669523       0.8247070 
1 1 1 2  28 3  o 0.7948677      0.6344196     -0.1692936     0.9305891     1.632099       0.8671733 
1 1 1 2  28 4  o 2.238276       0.6383354     2.284353       0.9235020     2.196120       0.8833230 
1 1 1 2  28 5  o 1.852172       0.6207566     2.418413       0.9062858     1.351744       0.8519925 
1 1 1 2  28 6  o 0.6220412E-01  0.6060250     -0.3814128     0.8898347     0.4459741      0.8276387 
1 1 1 2  28 7  o 0.7811795      0.6307833     0.1959922      0.8856930     1.383507       0.8985709 
1 1 1 2  28 8  f 0.5202717      0.6234546     1.190725       0.8670881     -0.1973528     0.8970723 
1 1 1 2  28 9  o 1.068845       0.6087404     0.8247408E-01  0.8300847     2.216544       0.8953984 
1 1 1 2  28 10 o 1.562112       0.6222860     1.950314       0.8750594     1.164934       0.8851174 
1 1 1 2  28 11 o -0.2129172     0.6370542     0.2209832      0.9003596     -0.6479201     0.9015028 
1 1 1 2  28 12 o 0.3780369      0.6249977     0.3828002E-01  0.8960499     0.6999430      0.8721933 
1 1 1 2  28 13 o 1.248788       0.6339189     0.6487683      0.9059880     1.824305       0.8872975 
1 1 1 2  28 14 o -0.2080959     0.6079686     0.8189653      0.8368405     -1.356133      0.8847539 
1 1 1 2  29 0  o 1.483052       0.9337741     1.483052       0.6602780     ?              ?         
1 1 1 2  29 1  o 3.525639       1.616134      2.236962       2.161831      5.158275       2.433294  
1 1 1 2  29 2  o 0.4872972      0.6395673     1.314762       0.9601175     -0.1727751     0.8575222 
1 1 1 2  29 3  o 1.070166       0.6435890     1.975864       0.9468805     0.2924612      0.8774270 
1 1 1 2  29 4  o 2.315966       0.6612611     2.419201       0.9114624     2.201248       0.9608173 
1 1 1 2  29 5  o 3.931355       0.6987720     4.854680       0.9802607     2.977450       0.9963617 
1 1 1 2  29 6  o 6.437743       0.6989095     6.108518       0.9847287     6.771935       0.9921274 
1 1 1 2  29 7  o 4.179250       0.6704577     4.181878       0.9576935     4.176724       0.9389259 
1 1 1 2  29 8  o 3.040547       0.6479336     2.568814       0.8986413     3.551309       0.9350773 
1 1 1 2  29 9  o 1.460389       0.6495519     1.818815       0.9118751     1.091182       0.9254863 
1 1 1 2  29 10 o 0.6457641E-01  0.6599345     1.563018       0.9410626     -1.385352      0.9257035 
1 1 1 2  29 11 f -1.297260      0.6551835     -1.332288      0.9257489     -1.262107      0.9273921 
1 1 1 2  30 0  o -0.7883113     0.9778628     -0.7883113     0.6914535     ?              ?         
1 1 1 2  30 1  o 0.2795294      0.7184666     1.688489       1.010029      -1.163621      1.022211  
1 1 1 2  30 2  o 0.4540604      0.6635082     -0.4346411E-01 1.008635      0.8335983      0.8809562 
1 1 1 2  30 3  o 0.7101238      0.6343992     0.2459940      1.001999      1.020651       0.8195918 
1 1 1 2  30 4  o 0.3456988      0.7027659     -0.1579527     0.9851965     0.8674665      1.002759  
1 1 1 2  30 5  o 0.3126418      0.6657429     -0.6323436     0.9309464     1.301738       0.9524262 
1 1 1 2  30 6  o 0.7677582      0.6906865     0.2139286      0.9780179     1.318789       0.9755432 
1 1 1 3  0  0  o 0.9625988E-01  0.1248233     0.9625988E-01  0.8826342E-01 ?              ?         
1 1 1 3  0  1  o 585.3889       6.005166      585.3889       4.246294      ?              ?         
1 1 1 3  0  2  o 267.6429       2.884995      267.6429       2.039999      ?              ?         
1 1 1 3  0  3  f 84.94549       1.049102      84.94549       0.7418268     ?              ?         
1 1 1 3  0  4  o 1256.915       13.05149      1256.915       9.228794      ?              ?         
1 1 1 3  0  5  o 206.9041       2.411314      206.9041       1.705056      ?              ?         
1 1 1 3  0  6  f 10.30360       0.2475671     10.30360       0.1750564     ?              ?         
1 1 1 3  0  7  f 2.026403       0.1715815     2.026403       0.1213264     ?              ?         
1 1 1 3  0  8  o 371.6945       4.150351      371.6945       2.934741      ?              ?         
1 1 1 3  0  9  o 193.7789       2.472152      193.7789       1.748076      ?              ?         
1 1 1 3  0  10 o 159.1000       2.126421      159.1000       1.503607      ?              ?         
1 1 1 3  0  11 o 391.8613       4.591643      391.8613       3.246782      ?              ?         
1 1 1 3  0  12 o 106.1283       1.610096      106.1283       1.138510      ?              ?         
1 1 1 3  0  13 f 3.010792       0.3434996     3.010792       0.2428909     ?              ?         
1 1 1 3  0  14 o 28.85850       0.6335188     28.85850       0.4479654     ?              ?         
1 1 1 3  0  15 o 50.15328       0.9181395     50.15328       0.6492226     ?              ?         
1 1 1 3  0  16 o 6.870868       0.4554715     6.870868       0.3220670     ?              ?         
1 1 1 3  0  17 o 310.3799       4.332866      310.3799       3.063799      ?              ?         
1 1 1 3  0  18 f 50.32074       0.9847794     50.32074       0.6963441     ?              ?         
1 1 1 3  0  19 f 44.98660       0.9378496     44.98660       0.6631598     ?              ?         
1 1 1 3  0  20 f 142.7076       2.269471      142.7076       1.604759      ?              ?         
1 1 1 3  0  21 o 0.4101494      0.5698854     0.4101494      0.4029698     ?              ?         
1 1 1 3  0  22 o 82.53313       1.507563      82.53313       1.066008      ?              ?         
1 1 1 3  0  23 o 14.20187       0.7586738     14.20187       0.5364634     ?              ?         
1 1 1 3  0  24 o -0.5091086E-01 0.7406939     -0.5091086E-01 0.5237496     ?              ?         
1 1 1 3  0  25 o 1.774430       0.7250988     1.774430       0.5127223     ?              ?         
1 1 1 3  0  26 o 20.25731       0.8706599     20.25731       0.6156496     ?              ?         
1 1 1 3  0  27 o 12.54580       0.7907994     12.54580       0.5591797     ?              ?         
1 1 1 3  0  28 o 7.112820       0.7404842     7.112820       0.5236014     ?              ?         
1 1 1 3  0  29 o 1.426211       0.6897120     1.426211       0.4877000     ?              ?         
1 1 1 3  0  30 o 3.416327       0.6933932     3.416327       0.4903030     ?              ?         
1 1 1 3  0  31 o 0.8756575      0.6745834     0.8756575      0.4770025     ?              ?         
1 1 1 3  0  32 o 0.3517217      0.7164324     0.3517217      0.5065942     ?              ?         
1 1 1 3  0  33 o 0.4764472      0.7323275     0.4764472      0.5178338     ?              ?         
1 1 1 3  0  34 o 2.486430       0.7788335     2.486430       0.5507184     ?              ?         
1 1 1 3  0  35 o 0.3995607      0.7922642     0.3995607      0.5602154     ?              ?         
1 1 1 3  0  36 o 1.048079       0.8224269     1.048079       0.5815436     ?              ?         
1 1 1 3  0  37 o -0.2897494     0.8829336     -0.2897494     0.6243284     ?              ?         
1 1 1 3  1  0  o 370.3308       3.783906      370.3308       2.675626      ?              ?         
1 1 1 3  1  1  f 273.2581       2.034926      264.4264       2.888930      281.9552       2.866838  
1 1 1 3  1  2  o 361.5265       2.672035      356.1862       3.759531      366.9778       3.798426  
1 1 1 3  1  3  o 88.54835       0.8352244     89.12339       1.112349      87.80508       1.264619  
1 1 1 3  1  4  o 545.4812       4.471266      535.8752       6.276380      555.3800       6.371339  
1 1 1 3  1  5  f 230.3793       1.874750      230.2596       2.516739      230.5285       2.810035  
1 1 1 3  1  6  o 508.1308       3.726136      514.6818       5.209100      501.2665       5.332159  
1 1 1 3  1  7  o 152.0426       1.341932      150.5213       1.890615      153.5873       1.905023  
1 1 1 3  1  8  o 55.91725       0.6192132     56.28337       0.8785862     55.55590       0.8728415 
1 1 1 3  1  9  o 49.99030       0.5816650     51.00082       0.8279119     49.00530       0.8173864 
1 1 1 3  1  10 f 159.4214       1.523778      158.9087       2.156382      159.9327       2.153517  
1 1 1 3  1  11 f 67.74947       0.7670307     68.62746       1.085830      66.87497       1.083664  
1 1 1 3  1  12 o 724.1008       5.593930      725.5934       7.894627      722.5958       7.927500  
1 1 1 3  1  13 o 142.0544       1.473790      144.0073       2.086162      140.1085       2.082350  
1 1 1 3  1  14 o 106.1997       1.167294      106.5503       1.646081      105.8450       1.655566  
1 1 1 3  1  15 o 315.1583       2.964061      314.1544       4.170327      316.1831       4.213640  
1 1 1 3  1  16 o 24.74035       0.4476568     26.26244       0.6351433     23.23785       0.6310410 
1 1 1 3  1  17 o 54.23932       0.7184308     53.25131       1.005606      55.26932       1.026753  
1 1 1 3  1  18 o 6.533945       0.3525644     5.993545       0.4907848     7.110197       0.5068036 
1 1 1 3  1  19 o 58.76719       0.7904813     58.36964       1.113356      59.17130       1.122519  
1 1 1 3  1  20 o 43.22182       0.6680598     43.93405       0.9464623     42.51463       0.9431050 
1 1 1 3  1  21 o 56.43848       0.8033524     55.50742       1.132635      57.38107       1.139621  
1 1 1 3  1  22 o 31.17067       0.6160145     31.66360       0.8713489     30.67812       0.8710034 
1 1 1 3  1  23 o 4.123939       0.4876369     4.023860       0.6774059     4.231577       0.7025252 
1 1 1 3  1  24 o 2.494740       0.5102394     2.686022       0.7131349     2.294113       0.7303479 
1 1 1 3  1  25 o 1.321509       0.5231173     1.483686       0.7268282     1.147216       0.7534913 
1 1 1 3  1  26 o 5.109711       0.5365865     6.274315       0.7608097     3.957041       0.7569010 
1 1 1 3  1  27 o 0.5522766      0.5102949     0.3119974      0.7007949     0.8234752      0.7445204 
1 1 1 3  1  28 o 9.580288       0.5587736     10.68421       0.7938322     8.496207       0.7866669 
1 1 1 3  1  29 o 0.1114774      0.4750493     0.2495532      0.6630606     -0.3414456E-01 0.6809384 
1 1 1 3  1  30 o 0.9635515      0.4780813     0.9907025      0.6685972     0.9351450      0.6838800 
1 1 1 3  1  31 o 0.5921686      0.4810648     0.8540797E-01  0.6808195     1.097470       0.6798382 
1 1 1 3  1  32 o 1.272553       0.4947172     1.312516       0.7082966     1.234486       0.6912851 
1 1 1 3  1  33 o 0.6891065      0.5148572     1.745806       0.7326877     -0.3416358     0.7236327 
1 1 1 3  1  34 o 0.2491673      0.5451236     0.6835702      0.7890805     -0.1474279     0.7539605 
1 1 1 3  1  35 o 0.8361980      0.5717639     1.296759       0.8059734     0.3695926      0.8112450 
1 1 1 3  1  36 o 0.3919189      0.5912964     0.4209082      0.8436329     0.3639267      0.8289981 
1 1 1 3  1  37 o 0.4010042E-01  0.7064862     -0.1841797     1.041945      0.2309581      0.9611794 
1 1 1 3  2  0  o 51.73165       0.7650783     51.73165       0.5409921     ?              ?         
1 1 1 3  2  1  f 339.6065       2.486690      337.5677       3.565634      341.5372       3.469748  
1 1 1 3  2  2  o 136.8632       1.083357      140.6399       1.523878      133.0039       1.540452  
1 1 1 3  2  3  f 387.9246       2.878350      385.5360       3.926337      390.6996       4.232034  
1 1 1 3  2  4  o 53.71196       0.5625703     55.09611       0.7569340     52.00386       0.8408563 
1 1 1 3  2  5  o 212.1407       1.688397      215.9351       2.286747      207.5931       2.503448  
1 1 1 3  2  6  o 425.5013       3.192232      421.3696       4.477363      429.7730       4.552573  
1 1 1 3  2  7  o 18.36351       0.2665620     19.61185       0.3808318     17.16448       0.3732340 
1 1 1 3  2  8  o 24.04690       0.3299433     22.41461       0.4579672     25.80851       0.4757620 
1 1 1 3  2  9  o 112.1945       1.109045      111.8786       1.567380      112.5112       1.569476  
1 1 1 3  2  10 o 8.597396       0.2312972     8.440053       0.3277795     8.753448       0.3264319 
1 1 1 3  2  11 o 93.27704       0.9920624     95.81846       1.415424      90.82301       1.390874  
1 1 1 3  2  12 o 446.7981       3.791087      450.8448       5.384161      442.8191       5.338940  
1 1 1 3  2  13 o 53.72137       0.6644170     50.90653       0.9222518     56.75880       0.9580238 
1 1 1 3  2  14 o 128.1092       1.364921      129.6541       1.937312      126.5865       1.923343  
1 1 1 3  2  15 o 20.27581       0.3961127     19.26838       0.5504315     21.35798       0.5704824 
1 1 1 3  2  16 o 61.60582       0.7744227     61.95642       1.092700      61.25201       1.097716  
1 1 1 3  2  17 f 10.56539       0.3604797     10.10327       0.4988199     11.07055       0.5215284 
1 1 1 3  2  18 f 15.11132       0.4104223     14.68517       0.5733923     15.55903       0.5877226 
1 1 1 3  2  19 o 55.66887       0.7659746     56.63194       1.083974      54.70837       1.082531  
1 1 1 3  2  20 o 1.094069       0.4008145     0.4204929      0.5582154     1.810928       0.5758716 
1 1 1 3  2  21 o 8.904482       0.4525709     9.421610       0.6341166     8.367599       0.6461160 
1 1 1 3  2  22 f 11.07507       0.4892408     11.33992       0.6935143     10.81269       0.6902789 
1 1 1 3  2  23 o 17.95551       0.5608641     18.05430       0.7890821     17.85463       0.7973457 
1 1 1 3  2  24 o 0.9045566      0.5041419     0.2330415      0.7027932     1.616403       0.7235904 
1 1 1 3  2  25 o 3.547796       0.5254145     2.768124       0.7287356     4.391877       0.7582389 
1 1 1 3  2  26 o 12.01517       0.5547614     12.25377       0.7854025     11.77761       0.7837026 
1 1 1 3  2  27 o 18.99112       0.5822312     18.77781       0.8333827     19.19451       0.8137662 
1 1 1 3  2  28 o 0.3620138      0.5063091     0.1476579      0.7523475     0.5394560      0.6845089 
1 1 1 3  2  29 f 1.050869       0.4800177     0.9832359      0.6768732     1.119296       0.6808392 
1 1 1 3  2  30 f -0.5200407     0.4755183     -0.1045808     0.6628056     -0.9606863     0.6826000 
1 1 1 3  2  31 o -0.3605637     0.4880877     -0.6518430     0.7024918     -0.8872337E-01 0.6786461 
1 1 1 3  2  32 o 0.5231259      0.5055591     -0.7705171E-01 0.7194144     1.108693       0.7106041 
1 1 1 3  2  33 o 0.6402532      0.5211951     0.8125534      0.7220445     0.4528140      0.7530981 
1 1 1 3  2  34 o 1.100189       0.5457302     1.350476       0.7775987     0.8572573      0.7660879 
1 1 1 3  2  35 o 0.3472132      0.5556345     0.8502546E-01  0.7763165     0.6225955      0.7956105 
1 1 1 3  2  36 o -0.4762690     0.6556281     -0.1668789     0.9222970     -0.7923241     0.9321784 
1 1 1 3  2  37 f -0.3811998     1.072131      -2.837345      1.546512      1.891519       1.487644  
1 1 1 3  3  0  o 155.6925       1.693470      155.6925       1.197464      ?              ?         
1 1 1 3  3  1  o 185.5039       1.375081      188.8427       1.954676      182.2326       1.934793  
1 1 1 3  3  2  o 1019.740       6.617045      1020.509       9.271714      1018.942       9.446567  
1 1 1 3  3  3  o 377.3093       2.730479      374.0708       3.905701      380.4052       3.818730  
1 1 1 3  3  4  o 604.9057       4.249696      605.6005       6.009515      604.2108       6.010440  
1 1 1 3  3  5  o 301.3007       2.201673      291.7583       3.085879      311.1942       3.142157  
1 1 1 3  3  6  o 288.3290       2.200015      287.9514       3.073764      288.7256       3.150228  
1 1 1 3  3  7  o 49.70583       0.5353986     48.21930       0.7276446     51.46072       0.7906035 
1 1 1 3  3  8  o 294.2368       2.416036      289.6853       3.432384      298.7065       3.401410  
1 1 1 3  3  9  o 29.96338       0.4062178     30.72219       0.5795039     29.23033       0.5695820 
1 1 1 3  3  10 o 197.5023       1.852416      194.3045       2.624192      200.6783       2.615256  
1 1 1 3  3  11 o 164.7036       1.607200      163.8893       2.262857      165.5326       2.283126  
1 1 1 3  3  12 o 10.78433       0.2881295     10.13383       0.4062833     11.44254       0.4086806 
1 1 1 3  3  13 o 0.3229445      0.2350518     0.7291813      0.3307971     -0.9133059E-01 0.3340538 
1 1 1 3  3  14 o 65.94682       0.7982704     66.07193       1.133174      65.82355       1.124723  
1 1 1 3  3  15 f 101.8242       1.147095      102.6877       1.626974      100.9706       1.617543  
1 1 1 3  3  16 o 63.32502       0.7941061     63.75462       1.123254      62.89574       1.122818  
1 1 1 3  3  17 f 1.009630       0.3085248     0.6247887      0.4383425     1.387450       0.4343252 
1 1 1 3  3  18 o 7.216865       0.3828898     6.446895       0.5475530     7.953640       0.5356200 
1 1 1 3  3  19 o 25.99096       0.5138783     26.61798       0.7230049     25.35082       0.7305209 
1 1 1 3  3  20 o 48.08598       0.7179349     47.90838       1.008896      48.26818       1.021855  
1 1 1 3  3  21 f 24.20978       0.5409574     24.59164       0.7609444     23.81962       0.7691808 
1 1 1 3  3  22 o 19.36018       0.5310556     19.16888       0.7519689     19.55053       0.7500868 
1 1 1 3  3  23 o 8.957579       0.5190796     8.271091       0.7264366     9.673777       0.7419894 
1 1 1 3  3  24 o 0.7222217      0.5152114     0.4285440      0.7108690     1.047179       0.7477686 
1 1 1 3  3  25 f 2.257992       0.5215079     2.502329       0.7212956     1.990359       0.7548983 
1 1 1 3  3  26 o 2.515066       0.5084592     3.161075       0.7270970     1.896818       0.7113026 
1 1 1 3  3  27 o 7.034108       0.5178777     7.089452       0.7273372     6.977199       0.7375489 
1 1 1 3  3  28 o 3.261908       0.5003785     3.116294       0.7122303     3.403828       0.7031415 
1 1 1 3  3  29 o 4.316758       0.4890463     4.722511       0.6949290     3.918650       0.6883497 
1 1 1 3  3  30 o 1.166000       0.5006494     0.7636641      0.6687607     1.678970       0.7551313 
1 1 1 3  3  31 o 1.034516       0.4802898     0.5011259      0.6851670     1.549819       0.6734494 
1 1 1 3  3  32 o 3.424952       0.5178304     4.265833       0.7403689     2.619657       0.7245333 
1 1 1 3  3  33 o 0.7207199      0.4991399     0.6172963      0.7111881     0.8211183      0.7007094 
1 1 1 3  3  34 o 0.9423887      0.5622803     1.458546       0.7805302     0.3855631      0.8106964 
1 1 1 3  3  35 o 1.077060       0.5792199     0.4371226      0.8366716     1.666037       0.8026673 
1 1 1 3  3  36 o 0.2997905      0.5817919     0.7294498E-01  0.8104117     0.5410303      0.8357283 
1 1 1 3  4  0  f 29.94302       0.4592088     29.94302       0.3247096     ?              ?         
1 1 1 3  4  1  o 280.6016       2.023911      282.5792       2.874656      278.6578       2.849990  
1 1 1 3  4  2  o 121.6870       1.053403      119.3270       1.531871      123.8041       1.450897  
1 1 1 3  4  3  o 465.0519       3.318268      464.1309       4.701105      465.9663       4.684418  
1 1 1 3  4  4  o 400.3810       2.970979      400.8600       4.264911      399.9293       4.141025  
1 1 1 3  4  5  o 6.400096       0.1554715     6.592679       0.2419607     6.264673       0.2029006 
1 1 1 3  4  6  o 269.8392       2.099488      271.8506       2.968219      267.8254       2.970031  
1 1 1 3  4  7  o 29.58906       0.3620609     29.83441       0.5146720     29.34869       0.5094312 
1 1 1 3  4  8  o 113.0640       1.106655      109.2757       1.506287      117.5070       1.631265  
1 1 1 3  4  9  o 36.56115       0.4579881     36.64646       0.6272644     36.46375       0.6702569 
1 1 1 3  4  10 o 47.10124       0.5610955     45.58427       0.7633109     48.88451       0.8276000 
1 1 1 3  4  11 o 21.81403       0.3665183     21.81844       0.5216856     21.80973       0.5150486 
1 1 1 3  4  12 o 327.3920       2.906913      323.7890       4.113624      330.9859       4.108372  
1 1 1 3  4  13 o 127.2565       1.352843      126.8497       1.918197      127.6590       1.908259  
1 1 1 3  4  14 o 184.9877       1.869269      184.2994       2.637894      185.6820       2.649233  
1 1 1 3  4  15 o 133.0849       1.435783      134.0537       2.035568      132.1256       2.025476  
1 1 1 3  4  16 o 46.82605       0.6474072     46.80185       0.9146050     46.85037       0.9165421 
1 1 1 3  4  17 o 22.25100       0.4542113     22.19006       0.6401661     22.31278       0.6445599 
1 1 1 3  4  18 o 9.198787       0.3855813     9.818641       0.5421267     8.564231       0.5485181 
1 1 1 3  4  19 o 102.0468       1.206345      100.8955       1.699306      103.2165       1.712834  
1 1 1 3  4  20 o 7.152357       0.4198818     7.332125       0.5813645     6.956338       0.6070746 
1 1 1 3  4  21 o 5.035537       0.4444681     4.760563       0.6180897     5.329990       0.6396082 
1 1 1 3  4  22 o 28.49185       0.6086800     28.36817       0.8637230     28.61388       0.8579133 
1 1 1 3  4  23 o 3.719086       0.4926756     4.313605       0.6931187     3.111948       0.7004361 
1 1 1 3  4  24 o 11.10132       0.5547984     10.72993       0.7708045     11.50055       0.7991711 
1 1 1 3  4  25 o -0.5685758     0.5117378     -0.2757280     0.7068292     -0.8911647     0.7418536 
1 1 1 3  4  26 o 8.334714       0.5428214     8.769779       0.7645267     7.892431       0.7708430 
1 1 1 3  4  27 o 1.102155       0.5047063     0.8829256      0.7070751     1.329880       0.7206435 
1 1 1 3  4  28 o 3.730224       0.5024529     4.116674       0.6971476     3.312497       0.7248107 
1 1 1 3  4  29 o 1.046030       0.4886868     0.9402926      0.6904874     1.152149       0.6917293 
1 1 1 3  4  30 o 0.4158156      0.4645615     0.3489669      0.6500915     0.4855787      0.6641111 
1 1 1 3  4  31 o 1.446276       0.4873917     1.857191       0.6843154     1.023228       0.6943460 
1 1 1 3  4  32 o 0.4000741      0.5061046     -0.1859016     0.7212036     0.9686237      0.7103989 
1 1 1 3  4  33 o 0.6647504      0.5253971     0.6423388      0.7448831     0.6869397      0.7411783 
1 1 1 3  4  34 o -0.2681875     0.6088408     -0.3059824     0.8151973     -0.2205114     0.9155806 
1 1 1 3  4  35 f 0.5905648      0.5661902     0.7336421      0.7982924     0.4457382      0.8031575 
1 1 1 3  4  36 o 1.475250       0.5874952     1.856894       0.8127328     1.057586       0.8502219 
1 1 1 3  5  0  o 28.74913       0.5160957     28.74913       0.3649348     ?              ?         
1 1 1 3  5  1  f 50.21939       0.5024529     48.95356       0.7049832     51.52620       0.7163032 
1 1 1 3  5  2  o 159.7855       1.354859      160.2212       1.967265      159.3924       1.868655  
1 1 1 3  5  3  o 82.79368       0.8094757     85.20995       1.153980      80.45302       1.135780  
1 1 1 3  5  4  o 14.54265       0.2328295     15.29259       0.3328694     13.82428       0.3257859 
1 1 1 3  5  5  o 159.7182       1.380951      155.7269       1.995529      163.3862       1.913003  
1 1 1 3  5  6  f 533.9231       3.765681      538.9995       5.440103      529.2531       5.217803  
1 1 1 3  5  7  o 260.3373       2.087690      259.5501       3.001837      261.0748       2.905402  
1 1 1 3  5  8  o 46.11037       0.5277528     45.52797       0.7459275     46.69411       0.7467835 
1 1 1 3  5  9  o 107.2178       1.076720      108.0392       1.486352      106.3109       1.561879  
1 1 1 3  5  10 f 23.82059       0.3670148     24.63938       0.5020491     22.88076       0.5378757 
1 1 1 3  5  11 o 31.93235       0.4422110     30.94523       0.5977989     33.12528       0.6571705 
1 1 1 3  5  12 o 239.4503       2.205312      240.8046       3.063172      237.9929       3.177533  
1 1 1 3  5  13 o 91.65784       1.035153      94.00378       1.481763      89.42154       1.446720  
1 1 1 3  5  14 f 7.299743       0.3076063     7.056356       0.4345869     7.544104       0.4354563 
1 1 1 3  5  15 o 39.68323       0.5802246     39.46872       0.8245072     39.89368       0.8166720 
1 1 1 3  5  16 o 84.00347       0.9991835     83.80472       1.412097      84.20277       1.414023  
1 1 1 3  5  17 o 19.01213       0.4363391     18.76545       0.6217436     19.25155       0.6125132 
1 1 1 3  5  18 f 16.76142       0.4378668     16.47805       0.6171247     17.04870       0.6213714 
1 1 1 3  5  19 f 14.23870       0.4662796     13.79447       0.6176683     14.82727       0.7109691 
1 1 1 3  5  20 o 9.488833       0.4379415     9.690814       0.6145704     9.280455       0.6242281 
1 1 1 3  5  21 o 5.828104       0.4401805     5.475198       0.6168831     6.194183       0.6282921 
1 1 1 3  5  22 o 11.44817       0.5059074     11.66522       0.7204961     11.23707       0.7105302 
1 1 1 3  5  23 o 32.90771       0.6817788     32.59507       0.9585957     33.22776       0.9698647 
1 1 1 3  5  24 o 8.955884       0.5413889     8.565492       0.7530730     9.373467       0.7788569 
1 1 1 3  5  25 o 14.61305       0.5747148     15.43778       0.8137842     13.79242       0.8117585 
1 1 1 3  5  26 o 2.732461       0.5094582     2.099798       0.7049596     3.424087       0.7370785 
1 1 1 3  5  27 f 1.587215       0.4864691     1.566660       0.6829145     1.608390       0.6931418 
1 1 1 3  5  28 o 1.544733       0.4891624     1.789539       0.6759338     1.275545       0.7087957 
1 1 1 3  5  29 o 0.7282647      0.5044371     0.8852230      0.6676084     0.5194264      0.7700779 
1 1 1 3  5  30 f 5.285773       0.5022204     5.469043       0.7024238     5.094104       0.7183373 
1 1 1 3  5  31 o 0.9439663      0.4986984     0.9687025      0.6947333     0.9176710      0.7162930 
1 1 1 3  5  32 f 2.785274       0.5223788     2.317294       0.7309463     3.273801       0.7468199 
1 1 1 3  5  33 o 0.9654235      0.5385698     0.8626018      0.7493987     1.075257       0.7745281 
1 1 1 3  5  34 o -0.2635107     0.5445098     0.5284299      0.7602189     -1.097798      0.7802793 
1 1 1 3  5  35 o 1.440503       0.5615560     1.744100       0.7830070     1.118971       0.8058038 
1 1 1 3  5  36 f -0.5083938     0.6011406     -0.2453763     0.8408170     -0.7834103     0.8597824 
1 1 1 3  6  0  o 2.164158       0.1995551     2.164158       0.1411067     ?              ?         
1 1 1 3  6  1  o 298.2183       2.308218      299.9948       3.357582      296.6263       3.178409  
1 1 1 3  6  2  o 68.75130       0.7131632     70.18341       1.018115      67.37167       0.9992793 
1 1 1 3  6  3  o 194.4819       1.686787      192.6628       2.386095      196.2992       2.384859  
1 1 1 3  6  4  o 168.8521       1.503037      170.0517       2.133791      167.6708       2.117533  
1 1 1 3  6  5  o 214.4747       1.791797      212.2457       2.604226      216.4785       2.469135  
1 1 1 3  6  6  o 126.0752       1.155043      130.4337       1.703034      122.3625       1.571803  
1 1 1 3  6  7  f 5.966912       0.1966887     5.183054       0.2860653     6.669736       0.2708756 
1 1 1 3  6  8  o 1.529411       0.1799627     1.645379       0.2637440     1.428379       0.2461749 
1 1 1 3  6  9  f 44.57951       0.5191729     43.41247       0.7521614     45.64149       0.7175066 
1 1 1 3  6  10 f 94.48484       1.002153      96.48993       1.383030      92.26820       1.454161  
1 1 1 3  6  11 o 89.30186       0.9618698     88.72197       1.316843      89.96515       1.408341  
1 1 1 3  6  12 f 359.1848       3.155063      357.0770       4.361577      361.4985       4.569551  
1 1 1 3  6  13 o 120.5139       1.266511      117.6540       1.725044      123.8582       1.865413  
1 1 1 3  6  14 f 323.7150       2.965681      324.6049       4.108292      322.7466       4.285532  
1 1 1 3  6  15 o 120.0276       1.324644      118.9254       1.760189      121.4670       2.011529  
1 1 1 3  6  16 o 114.3784       1.288498      113.7994       1.822848      114.9566       1.821576  
1 1 1 3  6  17 o 68.41689       0.8759431     68.66556       1.240846      68.16987       1.236706  
1 1 1 3  6  18 o 115.2096       1.336577      114.8164       1.896486      115.5976       1.883988  
1 1 1 3  6  19 o 53.46076       0.7685096     53.31676       1.092831      53.60164       1.080940  
1 1 1 3  6  20 o 41.24776       0.6770949     40.48248       0.9615566     42.00043       0.9536065 
1 1 1 3  6  21 o 8.913194       0.4532658     8.789497       0.6408312     9.037031       0.6411983 
1 1 1 3  6  22 o 4.384326       0.4766129     5.310360       0.6743603     3.460089       0.6737050 
1 1 1 3  6  23 o 21.91652       0.6126899     22.43052       0.8704478     21.41180       0.8625548 
1 1 1 3  6  24 o 18.24567       0.5947649     19.05628       0.8460376     17.45363       0.8362961 
1 1 1 3  6  25 o 11.16444       0.5535465     11.13551       0.7914836     11.19214       0.7744598 
1 1 1 3  6  26 f 0.3690510      0.4949381     -0.1799674     0.7060952     0.8993592      0.6939591 
1 1 1 3  6  27 o 1.276444       0.4870183     0.8149504      0.6717733     1.787719       0.7070778 
1 1 1 3  6  28 o 1.665807       0.4755947     1.815769       0.6639177     1.507744       0.6816164 
1 1 1 3  6  29 o 0.8509770      0.4679591     0.4572059      0.6470131     1.282905       0.6776367 
1 1 1 3  6  30 o 1.098550       0.4727513     1.704706       0.6683815     0.4917047      0.6687612 
1 1 1 3  6  31 o 0.9030008      0.4906561     1.071821       0.6734040     0.7119493      0.7163725 
1 1 1 3  6  32 f 0.4234728      0.5125145     0.5791063      0.7042733     0.2482683      0.7472439 
1 1 1 3  6  33 o 0.1823218      0.5317583     0.5959932E-01  0.7335964     0.3181960      0.7719048 
1 1 1 3  6  34 o 0.8173079      0.5489588     1.113341       0.7540027     0.4833889      0.8007988 
1 1 1 3  6  35 o 0.4490355      0.5710229     0.3779967      0.7841276     0.5292443      0.8332016 
1 1 1 3  6  36 o -1.818887      0.5994573     -0.1595949     0.8442627     -3.505967      0.8513026 
1 1 1 3  7  0  o 330.1726       3.601871      330.1726       2.546907      ?              ?         
1 1 1 3  7  1  o 261.7540       2.165398      258.9598       3.126596      264.3298       3.001880  
1 1 1 3  7  2  o 321.5327       2.617090      321.2015       3.703108      321.8633       3.699142  
1 1 1 3  7  3  o 175.2270       1.592191      174.7605       2.248166      175.6964       2.255245  
1 1 1 3  7  4  o 150.5357       1.419360      150.4615       2.006115      150.6101       2.008444  
1 1 1 3  7  5  o 17.17598       0.2849427     17.77991       0.4170900     16.64743       0.3901930 
1 1 1 3  7  6  o 52.19557       0.5811470     53.41522       0.8540857     51.14404       0.7930376 
1 1 1 3  7  7  o 78.31963       0.8049281     77.56383       1.175390      78.98713       1.104587  
1 1 1 3  7  8  o 81.91930       0.8379930     84.25570       1.231390      79.90393       1.143668  
1 1 1 3  7  9  o 33.90630       0.4408129     34.79895       0.6467094     33.13165       0.6024484 
1 1 1 3  7  10 f 76.36260       0.7997485     75.00100       1.153062      77.62482       1.110187  
1 1 1 3  7  11 o 285.9499       2.507686      285.9636       3.540913      285.9362       3.551919  
1 1 1 3  7  12 o 94.25529       1.027594      94.06284       1.406909      94.47536       1.504465  
1 1 1 3  7  13 o 75.95309       0.8726599     76.36546       1.193973      75.48016       1.278626  
1 1 1 3  7  14 o 11.71711       0.3447317     11.87245       0.4644431     11.52654       0.5144283 
1 1 1 3  7  15 o 164.9494       1.717002      164.9717       2.364457      164.9246       2.497410  
1 1 1 3  7  16 o 60.62379       0.7744446     60.68941       1.062994      60.54954       1.130589  
1 1 1 3  7  17 o 7.953499       0.3739856     8.420608       0.5026036     7.374031       0.5597985 
1 1 1 3  7  18 o 135.9518       1.531323      136.7173       2.172778      135.1962       2.158527  
1 1 1 3  7  19 o 87.50333       1.131247      86.32185       1.649157      88.55330       1.554670  
1 1 1 3  7  20 o 34.50793       0.6462220     34.30471       0.9283542     34.69896       0.9000928 
1 1 1 3  7  21 o 10.97925       0.4944999     11.18651       0.7067624     10.78048       0.6921243 
1 1 1 3  7  22 o 7.000135       0.5131599     7.544190       0.7197360     6.437611       0.7318512 
1 1 1 3  7  23 o 12.91933       0.5507799     12.92957       0.7747120     12.90886       0.7831981 
1 1 1 3  7  24 f 0.6529748      0.5052327     0.9082228      0.7177073     0.4022294      0.7113489 
1 1 1 3  7  25 o 7.295157       0.5235381     7.346198       0.7519494     7.247138       0.7293568 
1 1 1 3  7  26 f 1.211525       0.4926154     1.468646       0.7032313     0.9637905      0.6902761 
1 1 1 3  7  27 f 0.2522571      0.4788391     0.1408707      0.6755006     0.3647587      0.6788735 
1 1 1 3  7  28 o 0.4577824      0.4728379     0.3908124      0.6603670     0.5282398      0.6773436 
1 1 1 3  7  29 o 0.4582638      0.4538995     -0.1954644     0.6370974     1.132128       0.6468350 
1 1 1 3  7  30 o 0.2119685      0.4767053     0.2746820      0.6593192     0.1432712      0.6900571 
1 1 1 3  7  31 o -0.1050320     0.4861349     0.4377276      0.6831456     -0.6618490     0.6919357 
1 1 1 3  7  32 o 0.9460842      0.5189788     1.470710       0.7240537     0.3917722      0.7442570 
1 1 1 3  7  33 o 0.3305673      0.5329383     -0.6780775     0.7316537     1.470581       0.7778423 
1 1 1 3  7  34 o -0.5433917     0.5473532     -0.8952938     0.7575471     -0.1590126     0.7917327 
1 1 1 3  7  35 o -0.1163835     0.5831553     -0.3646123     0.7941203     0.1741455      0.8591221 
1 1 1 3  7  36 o 1.202526       0.6115065     2.279125       0.8423162     0.2776303E-02  0.8891878 
1 1 1 3  8  0  o 110.0792       1.537227      110.0792       1.086984      ?              ?         
1 1 1 3  8  1  o 65.16469       0.6866769     66.79591       1.005684      63.73999       0.9398689 
1 1 1 3  8  2  o 84.77834       0.8766044     83.91936       1.236165      85.64722       1.243277  
1 1 1 3  8  3  o 77.56730       0.8211136     76.79424       1.154952      78.35741       1.167612  
1 1 1 3  8  4  o 76.95254       0.8202330     75.91223       1.152941      78.01866       1.167159  
1 1 1 3  8  5  o 34.50753       0.4503748     33.99865       0.6303955     35.03806       0.6436641 
1 1 1 3  8  6  o 85.97140       0.8807806     85.09908       1.279798      86.75636       1.214026  
1 1 1 3  8  7  o 37.49667       0.4746993     37.37688       0.6943081     37.60183       0.6504850 
1 1 1 3  8  8  o 286.2947       2.373816      285.2120       3.322832      287.4232       3.392414  
1 1 1 3  8  9  o 103.5999       1.037083      102.5742       1.497561      104.5452       1.437589  
1 1 1 3  8  10 o 245.6182       2.182928      245.5111       3.143340      245.7179       3.033824  
1 1 1 3  8  11 o 14.08799       0.3188792     13.98656       0.4652234     14.17788       0.4379388 
1 1 1 3  8  12 o 16.66184       0.3554009     16.98030       0.4936004     16.31900       0.5121376 
1 1 1 3  8  13 o 169.9518       1.681424      168.9365       2.363630      170.9920       2.392416  
1 1 1 3  8  14 o 124.4494       1.299861      125.4229       1.839380      123.4782       1.837183  
1 1 1 3  8  15 o 16.95529       0.4002151     16.56337       0.5405340     17.43083       0.5954173 
1 1 1 3  8  16 o 46.25132       0.6610029     47.19837       0.9081351     45.18427       0.9639592 
1 1 1 3  8  17 o 9.991201       0.4036579     10.16281       0.5487970     9.788930       0.5958141 
1 1 1 3  8  18 o 3.777850       0.3795518     4.047460       0.5099782     3.443077       0.5682762 
1 1 1 3  8  19 o 10.89816       0.4451176     11.42823       0.6127325     10.30586       0.6477050 
1 1 1 3  8  20 o 61.42307       0.8556551     61.38598       1.173676      61.46515       1.250094  
1 1 1 3  8  21 o 24.47234       0.5831429     25.08772       0.7903970     23.73723       0.8638693 
1 1 1 3  8  22 o 12.68446       0.5431175     13.03724       0.7717660     12.33833       0.7644545 
1 1 1 3  8  23 o 18.69959       0.5989771     19.04062       0.8500478     18.36327       0.8441463 
1 1 1 3  8  24 o 10.91206       0.5375178     11.54096       0.7590046     10.27931       0.7613307 
1 1 1 3  8  25 o 3.447201       0.4998042     3.526467       0.7028827     3.366129       0.7108443 
1 1 1 3  8  26 o 2.296502       0.5022306     2.437602       0.7108510     2.155869       0.7096732 
1 1 1 3  8  27 o 0.1052599      0.4686502     0.2208820      0.6663558     -0.7907408E-02 0.6592443 
1 1 1 3  8  28 f -0.2677356E-01 0.4643730     -0.3455031     0.6494588     0.3066248      0.6642356 
1 1 1 3  8  29 o -0.4666185     0.4565628     0.6183016      0.6438041     -1.564258      0.6475670 
1 1 1 3  8  30 o 1.323035       0.4912998     1.586404       0.7024001     1.070759       0.6874468 
1 1 1 3  8  31 o 0.7697088      0.4986028     0.5997439      0.7045021     0.9402817      0.7057613 
1 1 1 3  8  32 f -0.3881011     0.5138611     -0.3749791     0.7223852     -0.4015420     0.7311122 
1 1 1 3  8  33 o -0.8835649E-01 0.5365115     -0.3033879     0.7412885     0.1481895      0.7774889 
1 1 1 3  8  34 o 1.143244       0.5654874     1.101308       0.7697578     1.192410       0.8334772 
1 1 1 3  8  35 f -0.6016710E-01 0.5796366     -0.2676964     0.7795823     0.1963931      0.8667960 
1 1 1 3  9  0  f 50.73873       0.8458323     50.73873       0.5980937     ?              ?         
1 1 1 3  9  1  o 18.19408       0.3266411     17.89459       0.4606339     18.49699       0.4632578 
1 1 1 3  9  2  o 181.3838       1.703687      180.0689       2.396580      182.7271       2.422383  
1 1 1 3  9  3  o 25.90153       0.3969859     24.10963       0.5492138     27.86213       0.5744843 
1 1 1 3  9  4  o 41.01264       0.5199025     41.76534       0.7386261     40.27353       0.7319258 
1 1 1 3  9  5  o 59.78910       0.6902406     60.39373       0.9757387     59.18347       0.9765571 
1 1 1 3  9  6  o 5.823160       0.2565537     6.265448       0.3825613     5.461679       0.3458530 
1 1 1 3  9  7  o 93.36300       0.9589512     93.47357       1.398356      93.26482       1.317570  
1 1 1 3  9  8  o 4.980274       0.2630923     4.584019       0.4054641     5.268430       0.3457638 
1 1 1 3  9  9  o 71.39835       0.7628459     72.07333       1.081649      70.73035       1.076027  
1 1 1 3  9  10 o 19.80740       0.3639096     20.48759       0.5297508     19.19961       0.5007636 
1 1 1 3  9  11 o 84.13123       0.9019216     85.81187       1.319105      82.65577       1.235970  
1 1 1 3  9  12 o 7.303805       0.2954941     6.666173       0.4205487     7.925574       0.4152845 
1 1 1 3  9  13 o 8.807920       0.3196401     8.330560       0.4678291     9.225865       0.4377476 
1 1 1 3  9  14 o 74.80315       0.8703660     74.21154       1.225818      75.40463       1.236012  
1 1 1 3  9  15 o 3.845430       0.3341829     4.469496       0.4675986     3.193897       0.4777778 
1 1 1 3  9  16 o 13.28291       0.4102373     14.39685       0.5768952     12.14336       0.5834873 
1 1 1 3  9  17 o 112.4628       1.245077      112.9517       1.760197      111.9733       1.761413  
1 1 1 3  9  18 o 68.07961       0.8960494     68.81320       1.232356      67.25673       1.305189  
1 1 1 3  9  19 o 24.12938       0.5523421     23.72554       0.7557651     24.59239       0.8092323 
1 1 1 3  9  20 o 1.652664       0.4430421     1.368739       0.5933408     2.010444       0.6660570 
1 1 1 3  9  21 o 8.399969       0.4970607     9.410963       0.6686987     7.151594       0.7430682 
1 1 1 3  9  22 o 10.78950       0.5288357     11.08027       0.7154444     10.43928       0.7851845 
1 1 1 3  9  23 o 14.96918       0.5545659     14.51922       0.7497895     15.51261       0.8240022 
1 1 1 3  9  24 o 13.70696       0.5382168     13.57074       0.7225572     13.87673       0.8066790 
1 1 1 3  9  25 o 5.919772       0.4892858     6.135224       0.6592394     5.655527       0.7300799 
1 1 1 3  9  26 o 2.364494       0.4731127     3.228349       0.6681936     1.496027       0.6699747 
1 1 1 3  9  27 o 0.1000482      0.4560753     0.2892222      0.6358892     -0.1003541     0.6544886 
1 1 1 3  9  28 o 1.542663       0.4665976     1.071649       0.6577447     2.019810       0.6620134 
1 1 1 3  9  29 o 0.7112159      0.4776458     0.5948768      0.6738096     0.8287250      0.6771896 
1 1 1 3  9  30 o 0.8402426      0.4899394     1.064623       0.6933019     0.6164091      0.6924568 
1 1 1 3  9  31 o -0.5496064     0.5083072     -0.7993330     0.7087114     -0.2850533     0.7294466 
1 1 1 3  9  32 o 0.4324088      0.5132102     0.4406418      0.7132887     0.4235722      0.7389699 
1 1 1 3  9  33 o 0.3820156      0.5415046     0.4138015      0.7484933     0.3471093      0.7843725 
1 1 1 3  9  34 o -0.6485809     0.5661253     -0.6025779     0.7871510     -0.6978735     0.8148094 
1 1 1 3  9  35 o 0.5372987      0.5884325     0.1857157      0.7955920     0.9618913      0.8743045 
1 1 1 3  10 0  f 79.02821       1.221819      79.02821       0.8639566     ?              ?         
1 1 1 3  10 1  f 54.95448       0.6509601     55.64928       0.9216170     54.26274       0.9195795 
1 1 1 3  10 2  o 43.72789       0.5557224     44.47833       0.7854922     42.97585       0.7863287 
1 1 1 3  10 3  o 98.83341       1.036900      98.92551       1.459521      98.73956       1.473372  
1 1 1 3  10 4  f 159.9031       1.565455      156.3135       2.188032      163.6675       2.240682  
1 1 1 3  10 5  o 279.5988       2.518090      277.9336       3.539820      281.3047       3.582802  
1 1 1 3  10 6  o 142.7244       1.388897      139.4811       2.008372      145.6972       1.922814  
1 1 1 3  10 7  o 116.0182       1.177673      118.4642       1.721103      113.8647       1.614924  
1 1 1 3  10 8  o 32.26302       0.4650668     31.45772       0.6811299     32.96633       0.6365396 
1 1 1 3  10 9  o 88.31107       0.9424444     89.85441       1.388213      86.99163       1.283565  
1 1 1 3  10 10 o 4.671594       0.2662969     4.053585       0.3866951     5.229035       0.3672575 
1 1 1 3  10 11 o 49.39112       0.6749118     51.07692       0.9672218     47.79138       0.9422085 
1 1 1 3  10 12 o 70.37447       0.8046167     71.21810       1.170164      69.61787       1.108165  
1 1 1 3  10 13 f 101.0188       1.076485      102.4284       1.576700      99.78789       1.473312  
1 1 1 3  10 14 o 19.74149       0.4265599     19.02220       0.6152065     20.40744       0.5919584 
1 1 1 3  10 15 o 46.77790       0.6629277     48.26653       0.9442599     45.33103       0.9309249 
1 1 1 3  10 16 o 80.08716       0.9569526     80.17849       1.353054      79.99576       1.353617  
1 1 1 3  10 17 f 68.81445       0.8712066     68.37751       1.218511      69.27139       1.246096  
1 1 1 3  10 18 o 4.061889       0.4062429     3.796374       0.5711976     4.333661       0.5778893 
1 1 1 3  10 19 o 1.440423       0.4108396     1.491045       0.5695587     1.385513       0.5931916 
1 1 1 3  10 20 o 18.30083       0.5326933     18.28540       0.7451679     18.31695       0.7617913 
1 1 1 3  10 21 o 3.763587       0.4894406     3.673367       0.6619706     3.872382       0.7269276 
1 1 1 3  10 22 o 1.773515       0.4925489     1.576218       0.6682671     2.008174       0.7288018 
1 1 1 3  10 23 o 2.073253       0.4777030     1.942514       0.6514235     2.225352       0.7026267 
1 1 1 3  10 24 f 1.285655       0.4654410     1.657772       0.6185275     0.7998573      0.7067192 
1 1 1 3  10 25 o 1.250527       0.4557478     1.235566       0.5991760     1.271065       0.7020229 
1 1 1 3  10 26 o 0.3377647      0.4404472     1.113962       0.5809174     -0.7117647     0.6755005 
1 1 1 3  10 27 f 0.3452860      0.4364888     0.5172502      0.5918463     0.1402090      0.6463215 
1 1 1 3  10 28 f -0.1358634     0.4429931     0.7904318E-01  0.5796675     -0.4375979     0.6868573 
1 1 1 3  10 29 o 0.6872706      0.4581183     0.1340430      0.6182974     1.360671       0.6821535 
1 1 1 3  10 30 o 0.4419668      0.4692718     0.6865377      0.6301734     0.1375141      0.7031009 
1 1 1 3  10 31 o 0.5033030      0.5146723     0.9689680E-01  0.7129316     0.9456163      0.7437599 
1 1 1 3  10 32 o 1.317871       0.5366479     1.665035       0.7520449     0.9576878      0.7660176 
1 1 1 3  10 33 o 0.8247733      0.5428955     0.7686430      0.7552099     0.8847995      0.7809788 
1 1 1 3  10 34 o 0.6999583      0.5882707     1.089632       0.8162150     0.2787386      0.8486110 
1 1 1 3  10 35 o -0.9576718E-02 0.6669874     0.3653578      0.9449337     -0.3818706     0.9416002 
1 1 1 3  11 0  o 161.5222       2.274870      161.5222       1.608576      ?              ?         
1 1 1 3  11 1  o 63.54601       0.7423466     63.94872       1.049998      63.14354       1.049675  
1 1 1 3  11 2  o 52.12572       0.6619421     51.55600       0.8995446     52.79856       0.9775705 
1 1 1 3  11 3  o 116.7014       1.209742      117.0778       1.707790      116.3222       1.713893  
1 1 1 3  11 4  o 179.8496       1.759796      181.2128       2.487942      178.4847       2.489514  
1 1 1 3  11 5  o 164.4116       1.637549      165.9715       2.312521      162.8426       2.319182  
1 1 1 3  11 6  o 18.38130       0.3694084     19.24162       0.5494424     17.67161       0.4990329 
1 1 1 3  11 7  o 75.26418       0.8324928     74.01413       1.211019      76.38419       1.146291  
1 1 1 3  11 8  o 20.56287       0.3983359     20.59509       0.5967757     20.53698       0.5349464 
1 1 1 3  11 9  o 5.285851       0.3098373     5.160275       0.4751672     5.378737       0.4086659 
1 1 1 3  11 10 o 195.3367       1.830128      192.7394       2.575405      197.9863       2.601171  
1 1 1 3  11 11 o 2.083407       0.2978916     2.574081       0.4254749     1.611608       0.4172114 
1 1 1 3  11 12 o 132.8214       1.358517      130.5812       1.960356      134.8913       1.884364  
1 1 1 3  11 13 o 190.7426       1.903310      188.9012       2.677731      192.6230       2.705862  
1 1 1 3  11 14 o 39.54759       0.5856276     39.94494       0.8567121     39.19905       0.8023618 
1 1 1 3  11 15 o 29.01223       0.5360275     29.39680       0.7599565     28.63148       0.7561724 
1 1 1 3  11 16 o 101.6919       1.161788      102.8074       1.641675      100.5728       1.644362  
1 1 1 3  11 17 o 83.38271       1.011708      84.24129       1.428825      82.51945       1.432726  
1 1 1 3  11 18 o 41.29313       0.6742970     41.99337       0.9441571     40.56416       0.9633321 
1 1 1 3  11 19 o 11.74403       0.4863949     12.68790       0.6822881     10.76864       0.6935834 
1 1 1 3  11 20 o 13.05793       0.5049061     13.57073       0.7062441     12.52183       0.7221103 
1 1 1 3  11 21 o 1.322674       0.4637181     1.191242       0.6381357     1.469733       0.6750095 
1 1 1 3  11 22 o 0.5984521E-01  0.4562014     0.4690692      0.6398820     -0.3631812     0.6505835 
1 1 1 3  11 23 o 1.407183       0.4584793     1.619021       0.6493747     1.196628       0.6474051 
1 1 1 3  11 24 o 1.287556       0.4502731     0.3624981      0.6247250     2.287642       0.6495659 
1 1 1 3  11 25 o 7.323232       0.4799802     7.903891       0.6416129     6.585322       0.7232927 
1 1 1 3  11 26 o 4.806787       0.4576734     5.181897       0.6108577     4.326758       0.6910269 
1 1 1 3  11 27 f 7.984884       0.4848585     7.784229       0.6515694     8.233869       0.7258096 
1 1 1 3  11 28 o 1.132197       0.4715052     1.232413       0.6409965     1.014039       0.6960142 
1 1 1 3  11 29 o 2.979974       0.4849843     2.899898       0.6654535     3.070692       0.7082918 
1 1 1 3  11 30 o 2.269095       0.4907730     2.317323       0.6550682     2.207391       0.7409561 
1 1 1 3  11 31 o 0.5593250      0.5031046     0.5146857E-01  0.6789062     1.177930       0.7492832 
1 1 1 3  11 32 o 0.7333900      0.5131379     1.054261       0.6889802     0.3336955      0.7689632 
1 1 1 3  11 33 o 0.2397134E-01  0.5335878     0.4784261      0.7162840     -0.5426692     0.7998227 
1 1 1 3  11 34 o 0.4376881      0.5469212     0.4517522      0.7133985     0.4176376      0.8518029 
1 1 1 3  12 0  o 239.1455       3.211529      239.1455       2.270894      ?              ?         
1 1 1 3  12 1  o 277.4339       2.570732      272.6095       3.605181      282.4245       3.666728  
1 1 1 3  12 2  o 186.9330       1.897343      184.4834       2.577452      189.8307       2.803240  
1 1 1 3  12 3  o 55.92078       0.6933936     55.44650       0.9696206     56.41719       0.9919746 
1 1 1 3  12 4  f 161.8128       1.620700      161.8916       2.285576      161.7330       2.298511  
1 1 1 3  12 5  o 150.5579       1.533732      148.2119       2.154842      152.9666       2.183490  
1 1 1 3  12 6  o 87.45663       0.9510612     88.40967       1.392824      86.62408       1.301793  
1 1 1 3  12 7  o 113.8221       1.182261      112.4910       1.719094      115.0167       1.628521  
1 1 1 3  12 8  o 348.4063       3.085240      349.0050       4.495782      347.8733       4.241674  
1 1 1 3  12 9  o 216.3216       2.062751      216.7284       3.019431      215.9655       2.824641  
1 1 1 3  12 10 o 217.8581       2.081071      217.2848       3.043085      218.3618       2.852326  
1 1 1 3  12 11 o 15.71287       0.3916852     16.64146       0.5686940     14.87484       0.5402529 
1 1 1 3  12 12 o 68.52826       0.8047791     68.18181       1.143296      68.86852       1.133032  
1 1 1 3  12 13 o 59.35767       0.7570390     58.35004       1.098780      60.26822       1.044510  
1 1 1 3  12 14 o 8.588448       0.3916669     9.270441       0.5700909     7.978777       0.5390157 
1 1 1 3  12 15 o 55.78690       0.7436867     57.50986       1.093888      54.30610       1.014101  
1 1 1 3  12 16 o 29.06969       0.5646756     29.40303       0.7938713     28.72834       0.8033571 
1 1 1 3  12 17 o 14.08899       0.4833930     14.41809       0.6730307     13.73834       0.6947274 
1 1 1 3  12 18 o 1.597323       0.4598212     1.975311       0.6384341     1.189905       0.6628220 
1 1 1 3  12 19 o 10.11738       0.4938838     11.00175       0.6881226     9.177822       0.7092718 
1 1 1 3  12 20 o 11.08335       0.5109862     11.02545       0.7203568     11.14198       0.7249525 
1 1 1 3  12 21 o 7.117619       0.4846288     8.250037       0.6846950     5.980733       0.6860442 
1 1 1 3  12 22 o 8.572085       0.4852226     8.779229       0.6882220     8.367348       0.6842123 
1 1 1 3  12 23 o 9.326549       0.4895324     8.769206       0.6855942     9.906253       0.6992134 
1 1 1 3  12 24 o 7.733794       0.4735574     7.738352       0.6457536     7.728491       0.6965501 
1 1 1 3  12 25 o 7.123964       0.4675519     6.876491       0.6482925     7.392208       0.6749493 
1 1 1 3  12 26 o 0.4187416      0.4376398     0.8753582      0.6087878     -0.6957819E-01 0.6295675 
1 1 1 3  12 27 o 2.275167       0.4502699     1.116727       0.6240297     3.533353       0.6503406 
1 1 1 3  12 28 f 4.754921       0.4645577     5.047507       0.6358840     4.420001       0.6803337 
1 1 1 3  12 29 f -0.6021315E-01 0.4633968     0.1277127      0.6385289     -0.2693231     0.6735573 
1 1 1 3  12 30 o 1.402151       0.4838959     0.6318356      0.6439836     2.401118       0.7333586 
1 1 1 3  12 31 o 1.398096       0.5097363     2.073986       0.7007403     0.6385256      0.7428536 
1 1 1 3  12 32 o 0.5818981      0.5277884     0.5166318      0.7152253     0.6599310      0.7820549 
1 1 1 3  12 33 o 0.9002320      0.5851280     2.416164       0.8085252     -0.7668197     0.8478680 
1 1 1 3  12 34 f -0.3895981     0.5916286     -0.6445283     0.7995033     -0.8103099E-01 0.8795983 
1 1 1 3  13 0  o 482.2961       5.929070      482.2961       4.192486      ?              ?         
1 1 1 3  13 1  o 314.7826       2.924221      319.6987       4.143179      309.9029       4.127810  
1 1 1 3  13 2  o 173.4247       1.803667      171.8038       2.461403      175.3043       2.650635  
1 1 1 3  13 3  o 70.07281       0.8648395     70.40558       1.179966      69.68655       1.271266  
1 1 1 3  13 4  o 2.839882       0.3454708     2.646074       0.4878821     3.034786       0.4892598 
1 1 1 3  13 5  f 20.65812       0.4820178     19.96258       0.7089586     21.25603       0.6573188 
1 1 1 3  13 6  o 95.90070       1.043457      92.81519       1.500484      98.79023       1.452049  
1 1 1 3  13 7  o 74.38181       0.8628155     73.08482       1.252995      75.55140       1.189862  
1 1 1 3  13 8  o 37.38914       0.5595845     36.74820       0.8166045     37.95656       0.7683426 
1 1 1 3  13 9  o 61.66118       0.7606035     59.80887       1.110116      63.30010       1.044217  
1 1 1 3  13 10 o 17.42398       0.4354674     17.46578       0.6503969     17.39002       0.5862709 
1 1 1 3  13 11 o 19.18004       0.4582197     18.93160       0.6792657     19.38751       0.6207251 
1 1 1 3  13 12 o 5.243367       0.3716896     5.091899       0.5300533     5.389902       0.5213516 
1 1 1 3  13 13 o 89.56287       0.9966967     89.90827       1.416669      89.22433       1.402522  
1 1 1 3  13 14 o 15.65412       0.4542769     15.90175       0.6735605     15.44749       0.6152773 
1 1 1 3  13 15 o 26.91917       0.5421168     26.43582       0.7937629     27.34173       0.7421725 
1 1 1 3  13 16 o 7.920542       0.4320432     8.265792       0.6377775     7.627744       0.5873373 
1 1 1 3  13 17 f 3.137923       0.4526007     2.576909       0.6274297     3.746554       0.6535151 
1 1 1 3  13 18 o 28.79092       0.6232599     30.22623       0.8764220     27.32238       0.8865098 
1 1 1 3  13 19 o 3.339901       0.4841919     4.203086       0.6862102     2.484020       0.6833005 
1 1 1 3  13 20 o 4.309283       0.4832001     5.326890       0.6773351     3.254722       0.6895241 
1 1 1 3  13 21 o 1.625332       0.4587624     0.8109649      0.6397263     2.487531       0.6582459 
1 1 1 3  13 22 o 13.96339       0.5172607     13.95952       0.7276582     13.96734       0.7354382 
1 1 1 3  13 23 o 20.62887       0.5557950     21.63558       0.7756168     19.56631       0.7968383 
1 1 1 3  13 24 o 4.735501       0.4532856     5.337761       0.6264568     4.073693       0.6566973 
1 1 1 3  13 25 o 5.516292       0.4504585     4.976204       0.6149165     6.141774       0.6617471 
1 1 1 3  13 26 o 1.608748       0.4317729     1.899601       0.5886463     1.270016       0.6352516 
1 1 1 3  13 27 o 4.644956       0.4490600     4.398351       0.6182746     4.920298       0.6533059 
1 1 1 3  13 28 o 1.647281       0.4806381     1.966376       0.6713331     1.311716       0.6884395 
1 1 1 3  13 29 o -0.3637543     0.4699148     -0.2463369     0.6539713     -0.4890964     0.6756801 
1 1 1 3  13 30 o 1.100672       0.4858214     0.8781248      0.6628282     1.359015       0.7141491 
1 1 1 3  13 31 o -0.3531415     0.5029050     -1.158367      0.7095315     0.4597711      0.7129105 
1 1 1 3  13 32 o 1.359440       0.5256844     1.587204       0.7181971     1.096598       0.7715239 
1 1 1 3  13 33 o -0.7828300E-01 0.5386554     -0.4394907     0.7321045     0.3480497      0.7953695 
1 1 1 3  14 0  o 170.6618       2.468697      170.6618       1.745632      ?              ?         
1 1 1 3  14 1  o 52.90393       0.7036110     54.04416       1.003783      51.80251       0.9865531 
1 1 1 3  14 2  f 4.888391       0.3912507     4.502959       0.5276768     5.359020       0.5830876 
1 1 1 3  14 3  f 1.044882       0.3778542     0.9533898      0.4940765     1.173785       0.5864524 
1 1 1 3  14 4  o 126.7311       1.395293      129.7837       1.922245      123.3317       2.028527  
1 1 1 3  14 5  o 155.9749       1.615668      157.1693       2.283060      154.7767       2.286744  
1 1 1 3  14 6  o 219.2824       2.113108      216.1532       3.057567      222.1435       2.923698  
1 1 1 3  14 7  o 132.0050       1.376248      129.5985       1.997538      134.1796       1.898829  
1 1 1 3  14 8  o 118.0185       1.260277      115.4236       1.827127      120.3735       1.740619  
1 1 1 3  14 9  o 34.63204       0.5721300     35.22707       0.8491595     34.13737       0.7742474 
1 1 1 3  14 10 o 170.7632       1.734225      169.7084       2.535109      171.6910       2.377592  
1 1 1 3  14 11 o 7.796960       0.4179210     7.900752       0.6399188     7.719766       0.5518674 
1 1 1 3  14 12 f 26.63321       0.5387693     25.66960       0.7967607     27.44502       0.7313096 
1 1 1 3  14 13 o 39.17051       0.6162734     38.74886       0.8804635     39.57550       0.8628867 
1 1 1 3  14 14 o 0.7259508      0.3938764     0.5382405      0.5660161     0.9021907      0.5484499 
1 1 1 3  14 15 o 48.00210       0.7170030     47.99986       1.047020      48.00407       0.9839104 
1 1 1 3  14 16 o 7.168835       0.4599330     7.043944       0.6714773     7.279217       0.6312701 
1 1 1 3  14 17 o 7.292545       0.4798892     7.719400       0.7184359     6.948659       0.6448445 
1 1 1 3  14 18 f 3.341935       0.5494700     3.778781       0.7437416     2.816962       0.8153173 
1 1 1 3  14 19 o 0.6832368E-01  0.4722869     -0.3783216     0.6796718     0.4853471      0.6567470 
1 1 1 3  14 20 o 1.047864       0.4751284     1.022329       0.6626867     1.074876       0.6815776 
1 1 1 3  14 21 o 1.878320       0.4713846     1.957656       0.6580122     1.794682       0.6756134 
1 1 1 3  14 22 o 4.548875       0.4690497     4.715702       0.6388227     4.353735       0.6909077 
1 1 1 3  14 23 o 2.920180       0.4496634     2.620597       0.6237240     3.244395       0.6488608 
1 1 1 3  14 24 o 3.467385       0.4453622     4.018744       0.6198642     2.879057       0.6403077 
1 1 1 3  14 25 f 2.771040       0.4327918     3.057275       0.5845553     2.423788       0.6438524 
1 1 1 3  14 26 o 1.216116       0.4392904     1.019073       0.6015861     1.441206       0.6429785 
1 1 1 3  14 27 o 1.006320       0.4661429     1.105724       0.6478926     0.8996422      0.6711751 
1 1 1 3  14 28 o 0.6184831E-01  0.4548573     -0.3864955     0.6182196     0.5909986      0.6716247 
1 1 1 3  14 29 o 0.6536210      0.4820628     0.3852100      0.6637072     0.9533219      0.7013268 
1 1 1 3  14 30 o 0.4555397      0.5068521     0.6251116      0.6948262     0.2626851      0.7409934 
1 1 1 3  14 31 o 0.4094921      0.5071821     0.6901316      0.7064242     0.1109416      0.7286183 
1 1 1 3  14 32 o 0.5014009      0.5289405     0.5677845      0.7162122     0.4217520      0.7845149 
1 1 1 3  15 0  o 52.44712       1.016334      52.44712       0.7186564     ?              ?         
1 1 1 3  15 1  o 19.37949       0.4665287     17.73628       0.6488129     21.13859       0.6713042 
1 1 1 3  15 2  o 21.12678       0.5110527     20.56946       0.6836870     21.83250       0.7693481 
1 1 1 3  15 3  f 12.48168       0.4759516     13.02916       0.6363682     11.78663       0.7170206 
1 1 1 3  15 4  o 28.89632       0.5784224     28.20184       0.7730663     29.77959       0.8718371 
1 1 1 3  15 5  o 25.46615       0.5588902     25.38509       0.7484782     25.56831       0.8402358 
1 1 1 3  15 6  o 25.23950       0.5226753     26.03926       0.7622918     24.52991       0.7180402 
1 1 1 3  15 7  o 31.04338       0.5690361     31.83439       0.8360019     30.36054       0.7767392 
1 1 1 3  15 8  o 24.02919       0.5258183     24.23126       0.7746909     23.85657       0.7160097 
1 1 1 3  15 9  o 17.76759       0.4878847     16.93493       0.7200434     18.47437       0.6633809 
1 1 1 3  15 10 o 22.26710       0.5144941     22.59840       0.7630406     21.99091       0.6966873 
1 1 1 3  15 11 o 13.31179       0.4739970     13.85034       0.7004649     12.85687       0.6437824 
1 1 1 3  15 12 o 32.98421       0.6017633     33.59739       0.9022715     32.49293       0.8076178 
1 1 1 3  15 13 o 48.80507       0.7295182     47.69268       1.075159      49.75414       0.9931084 
1 1 1 3  15 14 f 10.35333       0.4741578     9.764266       0.6704507     10.94277       0.6706701 
1 1 1 3  15 15 f 21.97457       0.5464428     22.78387       0.7935575     21.24479       0.7535661 
1 1 1 3  15 16 o 9.407703       0.4924671     11.12699       0.7363098     8.016089       0.6624398 
1 1 1 3  15 17 o 15.33846       0.5311435     16.35546       0.7894394     14.49734       0.7179416 
1 1 1 3  15 18 o 16.83081       0.5341970     17.23920       0.7850568     16.47866       0.7289922 
1 1 1 3  15 19 f 2.257776       0.4848637     1.825598       0.6862377     2.688605       0.6851651 
1 1 1 3  15 20 o 2.433622       0.4644075     2.082620       0.6646922     2.768377       0.6491271 
1 1 1 3  15 21 f 9.694407       0.5085342     11.98941       0.7642755     7.871099       0.6812208 
1 1 1 3  15 22 o 7.147743       0.4597207     7.519136       0.6346148     6.737637       0.6668702 
1 1 1 3  15 23 o 1.466665       0.4458389     1.445328       0.6241952     1.488888       0.6370234 
1 1 1 3  15 24 o 0.8924260      0.4480954     1.221784       0.6175447     0.5261921      0.6511989 
1 1 1 3  15 25 o 3.924600       0.4565560     3.356638       0.6251131     4.573929       0.6683929 
1 1 1 3  15 26 o 3.704626       0.4612879     3.825971       0.6440146     3.576782       0.6610376 
1 1 1 3  15 27 o 1.491199       0.4612976     1.897817       0.6490307     1.076094       0.6557681 
1 1 1 3  15 28 o 0.5850005      0.4805455     1.046381       0.6592875     0.6205035E-01  0.7019004 
1 1 1 3  15 29 o 0.2361083      0.4966495     0.3463340      0.6875160     0.1158151      0.7182270 
1 1 1 3  15 30 o 0.4628404      0.5034624     -0.5018141E-01 0.6888571     1.051115       0.7376515 
1 1 1 3  15 31 o 0.2216832      0.5429378     1.221465       0.7525917     -0.8633807     0.7840331 
1 1 1 3  15 32 o 0.2655053      0.5505075     0.6114262      0.7547778     -0.1276762     0.8046873 
1 1 1 3  16 0  o 189.5124       2.778252      189.5124       1.964521      ?              ?         
1 1 1 3  16 1  o 90.01603       1.074716      90.54071       1.516821      89.48709       1.522954  
1 1 1 3  16 2  o 40.46851       0.6973074     40.50924       0.9469577     40.42027       1.030630  
1 1 1 3  16 3  o 23.33415       0.5740440     23.04017       0.7716305     23.69849       0.8590254 
1 1 1 3  16 4  o 3.478336       0.4645247     3.441988       0.6142118     3.526911       0.7100308 
1 1 1 3  16 5  o 18.23373       0.5405015     18.22556       0.7294207     18.24369       0.8049121 
1 1 1 3  16 6  o 12.72148       0.4876171     13.38658       0.6916287     12.06414       0.6875785 
1 1 1 3  16 7  o 3.573832       0.4336065     3.747762       0.6351163     3.421986       0.5934284 
1 1 1 3  16 8  o 2.777754       0.4365126     2.613952       0.6457185     2.915607       0.5923699 
1 1 1 3  16 9  o 30.68884       0.5864934     28.23163       0.8455955     32.96671       0.8141518 
1 1 1 3  16 10 o 8.992820       0.4689488     8.634838       0.7038426     9.278592       0.6288611 
1 1 1 3  16 11 o 83.54556       1.012639      84.21021       1.488732      82.97325       1.381453  
1 1 1 3  16 12 o 139.4927       1.502139      140.4551       2.199719      138.6518       2.056225  
1 1 1 3  16 13 o 35.64550       0.6553720     35.91716       0.9880452     35.43208       0.8757534 
1 1 1 3  16 14 o 26.22492       0.6007134     28.59673       0.9025643     24.33874       0.8048770 
1 1 1 3  16 15 o 0.2498173      0.4497899     0.4822863      0.6492798     0.3531199E-01  0.6236895 
1 1 1 3  16 16 o 6.187232       0.4672629     6.810641       0.6630061     5.572016       0.6586347 
1 1 1 3  16 17 o 2.476573       0.4656649     2.590970       0.6862866     2.378966       0.6339249 
1 1 1 3  16 18 o -0.8392216E-01 0.4617920     0.1588512      0.6801350     -0.2915647     0.6290030 
1 1 1 3  16 19 o 2.547389       0.4563424     3.044212       0.6715230     2.121080       0.6220446 
1 1 1 3  16 20 o 3.529509       0.4643064     3.249103       0.6438950     3.833247       0.6701484 
1 1 1 3  16 21 o -0.1796524E-01 0.4617827     0.9735548      0.6404135     -1.091860      0.6664854 
1 1 1 3  16 22 f 0.4600431      0.4426199     0.6985196      0.6012939     0.1779861      0.6539317 
1 1 1 3  16 23 o -0.8345542E-02 0.4329535     0.2917566      0.6125083     -0.3080177     0.6120694 
1 1 1 3  16 24 o -0.8020073     0.4347176     -0.5918118     0.5864613     -1.058353      0.6476501 
1 1 1 3  16 25 o 1.102220       0.4541171     1.031651       0.6410310     1.173314       0.6434128 
1 1 1 3  16 26 o 0.8007656      0.4681778     1.166831       0.6475174     0.3997526      0.6777217 
1 1 1 3  16 27 o 0.2164055      0.4733621     0.2712127      0.6461096     0.1529017      0.6954840 
1 1 1 3  16 28 o 0.1869785      0.4964658     0.1582458      0.6876217     0.2182670      0.7175517 
1 1 1 3  16 29 o 0.3747598      0.5111557     -0.1182183     0.7102996     0.9042884      0.7361604 
1 1 1 3  16 30 o 0.1891546      0.5277318     0.1859746E-01  0.7342389     0.3714233      0.7590294 
1 1 1 3  16 31 o 1.237527       0.5544539     1.402631       0.7868841     1.074727       0.7813774 
1 1 1 3  17 0  o 2.719894       0.6635891     2.719894       0.4692284     ?              ?         
1 1 1 3  17 1  o 2.157627       0.4661247     2.040540       0.6681118     2.268670       0.6506352 
1 1 1 3  17 2  o 39.97490       0.7055425     39.00970       0.9513062     41.15486       1.051824  
1 1 1 3  17 3  o 64.02015       0.8976921     63.72765       1.212007      64.37562       1.336103  
1 1 1 3  17 4  o 23.40873       0.5910531     24.08117       0.7917568     22.56232       0.8882994 
1 1 1 3  17 5  o 77.31046       1.013780      79.19674       1.381582      75.11003       1.492202  
1 1 1 3  17 6  f 40.57167       0.6848508     39.28837       0.9440024     41.99754       0.9950643 
1 1 1 3  17 7  f 51.18087       0.7554206     51.52423       1.095474      50.86955       1.043101  
1 1 1 3  17 8  f 23.45871       0.5613098     22.90234       0.8236383     23.94120       0.7670075 
1 1 1 3  17 9  o 5.229218       0.4697888     4.850341       0.6917778     5.553504       0.6400023 
1 1 1 3  17 10 f 21.82888       0.5698400     22.06077       0.8406289     21.63173       0.7751042 
1 1 1 3  17 11 o 35.39144       0.6610314     33.69838       0.9780825     36.81501       0.8968677 
1 1 1 3  17 12 o 38.50474       0.6798825     37.09883       0.9977341     39.72347       0.9289454 
1 1 1 3  17 13 o 52.89122       0.7926842     53.07052       1.185367      52.74618       1.066138  
1 1 1 3  17 14 o 34.36123       0.6644419     34.02986       0.9995532     34.62358       0.8893903 
1 1 1 3  17 15 o 3.376734       0.5130116     3.296448       0.7725704     3.440056       0.6861158 
1 1 1 3  17 16 o 12.18590       0.4994985     11.81273       0.7175428     12.53676       0.6957561 
1 1 1 3  17 17 o 2.522082       0.4633873     2.174515       0.6760171     2.830134       0.6364303 
1 1 1 3  17 18 o 2.044015       0.4405593     2.289931       0.6284266     1.806345       0.6177991 
1 1 1 3  17 19 o 1.244501       0.4486583     0.7059947      0.6675744     1.688100       0.6058974 
1 1 1 3  17 20 o 2.008142       0.4597967     1.696692       0.6371233     2.346653       0.6642245 
1 1 1 3  17 21 o 1.800143       0.4509360     2.002037       0.6298947     1.587894       0.6458440 
1 1 1 3  17 22 o 3.431960       0.4645641     3.629399       0.6429849     3.216326       0.6719581 
1 1 1 3  17 23 o 1.617510       0.4423819     1.680074       0.6170416     1.551340       0.6345715 
1 1 1 3  17 24 o 0.4180890      0.4477929     0.1362772      0.6159867     0.7339180      0.6521053 
1 1 1 3  17 25 o 0.7040482      0.4547209     1.359880       0.6526558     0.8537022E-01  0.6338992 
1 1 1 3  17 26 o -0.5490080     0.4791451     -0.3587953     0.6708415     -0.7471000     0.6845948 
1 1 1 3  17 27 o 0.1457449      0.4993465     0.6140499      0.6920432     -0.3628882     0.7212256 
1 1 1 3  17 28 o 1.262869       0.5174965     1.481933       0.7247767     1.035038       0.7391354 
1 1 1 3  17 29 o 0.6589779      0.5340744     0.8007189      0.7414518     0.5061341      0.7699441 
1 1 1 3  17 30 o -0.2870902     0.5353800     -0.1654369     0.7528070     -0.4115862     0.7615521 
1 1 1 3  18 0  o 1.223216       0.7026879     1.223216       0.4968753     ?              ?         
1 1 1 3  18 1  o 54.17953       0.8070862     54.04408       1.137595      54.31680       1.145228  
1 1 1 3  18 2  f 4.247215       0.5193169     4.545619       0.6922349     3.863078       0.7854071 
1 1 1 3  18 3  o 9.736822       0.5394689     9.613036       0.7271448     9.888371       0.8045647 
1 1 1 3  18 4  o 8.224493       0.5469641     8.564566       0.7279649     7.783611       0.8288692 
1 1 1 3  18 5  o 11.43388       0.5477765     10.45366       0.7271156     12.72029       0.8329762 
1 1 1 3  18 6  o 2.288166       0.5089523     2.564065       0.7069749     1.991353       0.7332802 
1 1 1 3  18 7  o 1.738603       0.4956255     1.819965       0.6800559     1.646428       0.7238310 
1 1 1 3  18 8  o 82.11358       26.89995      91.28591       29.59434      38.51038       64.52499  
1 1 1 3  18 9  o 28.53136       0.6238512     28.48628       0.9212144     28.56955       0.8478612 
1 1 1 3  18 10 o 23.43905       0.5968594     22.99849       0.8744644     23.82330       0.8166696 
1 1 1 3  18 11 o 42.27441       0.7278873     42.13043       1.060813      42.40252       1.000600  
1 1 1 3  18 12 o 3.046716       0.5014038     3.200407       0.7467287     2.920527       0.6766270 
1 1 1 3  18 13 o 3.489781       0.5059278     3.615371       0.7627588     3.391123       0.6760439 
1 1 1 3  18 14 o 9.293550       0.5141678     9.172001       0.7725028     9.390224       0.6889372 
1 1 1 3  18 15 o 4.655580       0.5243376     4.595560       0.7301602     4.719488       0.7534382 
1 1 1 3  18 16 o 10.70803       0.5058839     11.37868       0.7634767     10.18312       0.6754408 
1 1 1 3  18 17 o 4.438643       0.4539699     4.072076       0.6378069     4.815036       0.6462981 
1 1 1 3  18 18 o 1.236802       0.4453017     0.8850787      0.6508264     1.546389       0.6106001 
1 1 1 3  18 19 o 1.404621       0.4400265     0.8024334      0.6329091     1.968029       0.6121908 
1 1 1 3  18 20 f 5.618309       0.4553545     6.120107       0.6602008     5.162998       0.6288774 
1 1 1 3  18 21 o 1.534563       0.4679209     1.868992       0.6570609     1.190436       0.6665208 
1 1 1 3  18 22 o 0.3828373      0.4494221     0.6164088      0.6199501     0.1241327      0.6524525 
1 1 1 3  18 23 o -0.4527329     0.4742570     -0.6562122     0.6423075     -0.2088258     0.7032260 
1 1 1 3  18 24 f 6.326613       0.4774625     5.751251       0.6673344     6.930049       0.6834208 
1 1 1 3  18 25 o 2.974340       0.4656397     2.370531       0.6457381     3.628416       0.6720795 
1 1 1 3  18 26 f 2.321306       0.5107461     1.720634       0.7133511     2.953109       0.7316027 
1 1 1 3  18 27 o 0.9371005      0.5082285     1.529407       0.7133203     0.3264315      0.7242928 
1 1 1 3  18 28 f -0.1659522     0.5239124     -0.7532298E-01 0.7259583     -0.2644601     0.7568551 
1 1 1 3  18 29 o 0.3501006      0.5503814     -0.1668764     0.7827416     0.8556537      0.7740450 
1 1 1 3  19 0  f 3.199113       0.7457799     3.199113       0.5273460     ?              ?         
1 1 1 3  19 1  o 10.93746       0.5535643     11.04827       0.7959626     10.83366       0.7703802 
1 1 1 3  19 2  o 58.04683       0.8896987     60.00116       1.213982      55.77916       1.307684  
1 1 1 3  19 3  o 20.73278       0.6194555     19.74847       0.8208534     22.03487       0.9441053 
1 1 1 3  19 4  f 15.03298       0.6015742     14.64195       0.7648968     15.66705       0.9740220 
1 1 1 3  19 5  o 32.08307       0.7043923     32.46755       0.9420200     31.59546       1.060857  
1 1 1 3  19 6  o 100.8565       1.224989      98.53772       1.710875      103.2957       1.754751  
1 1 1 3  19 7  o 79.18724       1.048129      79.49788       1.464026      78.86062       1.501230  
1 1 1 3  19 8  o 44.44772       0.7733676     43.68118       1.068585      45.29084       1.120688  
1 1 1 3  19 9  o 16.48898       0.5612941     15.88436       0.8122845     17.04151       0.7765034 
1 1 1 3  19 10 o 2.713357       0.5103354     2.452721       0.7348356     2.956186       0.7092887 
1 1 1 3  19 11 f 3.369769       0.5055134     3.837557       0.7463520     2.973281       0.6871229 
1 1 1 3  19 12 o 3.131829       0.5084792     2.791360       0.7174005     3.475540       0.7208079 
1 1 1 3  19 13 o 6.972185       0.5164469     6.939109       0.7476346     7.002372       0.7142418 
1 1 1 3  19 14 o 5.988360       0.4879729     5.935464       0.7231781     6.032575       0.6611781 
1 1 1 3  19 15 o 2.238210       0.4759084     2.290155       0.7111522     2.196079       0.6404576 
1 1 1 3  19 16 o 6.445593       0.4918200     7.367100       0.7347829     5.697653       0.6619776 
1 1 1 3  19 17 o 2.707109       0.4655429     2.919671       0.6944194     2.533584       0.6274209 
1 1 1 3  19 18 o 1.931890       0.4398164     2.083338       0.6081470     1.765816       0.6368329 
1 1 1 3  19 19 o 0.1337795      0.4485270     0.6211572      0.6533131     -0.3007546     0.6168797 
1 1 1 3  19 20 o 2.032515       0.4436054     2.526129       0.6453647     1.590404       0.6107693 
1 1 1 3  19 21 o 2.184925       0.4493779     2.252588       0.6642938     2.127837       0.6101814 
1 1 1 3  19 22 o 2.377519       0.4623501     2.196801       0.6408358     2.573715       0.6677158 
1 1 1 3  19 23 o 1.756494       0.4775367     2.378792       0.6671571     1.102706       0.6838294 
1 1 1 3  19 24 o -0.5903045E-01 0.4842771     -0.7701237E-01 0.6770669     -0.4019487E-01 0.6929517 
1 1 1 3  19 25 o -0.1647778     0.5077507     -0.1474460     0.6997567     -0.1840503     0.7378964 
1 1 1 3  19 26 o 0.3607018      0.5091190     1.237357       0.7293628     -0.4723541     0.7109945 
1 1 1 3  19 27 o 1.460916       0.5309705     1.493508       0.7493584     1.428054       0.7524625 
1 1 1 3  19 28 f 0.2502439      0.5396159     1.316617       0.7923056     -0.6723538     0.7369608 
1 1 1 3  20 0  o 3.317034       0.7593281     3.317034       0.5369261     ?              ?         
1 1 1 3  20 1  o 7.532491       0.5617403     7.881418       0.8102002     7.209482       0.7795289 
1 1 1 3  20 2  o 3.067230       0.5362256     3.686525       0.7075559     2.231601       0.8219003 
1 1 1 3  20 3  o 0.4881308      0.5607183     0.5860232      0.7385329     0.3549083      0.8615575 
1 1 1 3  20 4  f 17.04309       0.6193356     17.69390       0.8145768     16.15140       0.9534787 
1 1 1 3  20 5  o 19.89305       0.6118032     19.20052       0.8378813     20.68397       0.8954231 
1 1 1 3  20 6  o 8.948878       0.5537327     8.881978       0.7560973     9.026266       0.8132106 
1 1 1 3  20 7  f 7.999464       0.5462205     7.170820       0.7482413     8.944871       0.7992214 
1 1 1 3  20 8  o 15.28752       0.5912762     14.87506       0.8102229     15.75745       0.8648273 
1 1 1 3  20 9  o 11.02946       0.5555333     10.68383       0.7573860     11.43196       0.8173182 
1 1 1 3  20 10 f 2.988057       0.5013509     3.906986       0.7298930     2.167222       0.6898361 
1 1 1 3  20 11 o 3.845693       0.4960807     4.372811       0.7261308     3.384329       0.6793330 
1 1 1 3  20 12 o 9.858945       0.5105152     9.514250       0.7161954     10.21500       0.7279021 
1 1 1 3  20 13 o 3.186632       0.4971193     3.252433       0.7272649     3.128926       0.6810721 
1 1 1 3  20 14 f 7.822383       0.5137360     8.660925       0.7556946     7.101850       0.7005051 
1 1 1 3  20 15 o 12.36174       0.5131634     12.82030       0.7664806     11.98921       0.6908439 
1 1 1 3  20 16 o 10.06363       0.5064082     9.030005       0.7545633     10.91074       0.6830965 
1 1 1 3  20 17 f 4.374859       0.4873374     4.086966       0.7290610     4.607398       0.6552335 
1 1 1 3  20 18 o 2.769762       0.4600877     2.352326       0.7013198     3.085155       0.6096026 
1 1 1 3  20 19 o 0.2400142      0.4433273     -0.2999852     0.6321157     0.7627468      0.6219274 
1 1 1 3  20 20 o 0.3696365      0.4497213     1.363137       0.6573996     -0.5042775     0.6165664 
1 1 1 3  20 21 f 1.876348       0.4622974     2.445606       0.6678519     1.352641       0.6405754 
1 1 1 3  20 22 o 0.9963676E-01  0.4881244     -0.3583828     0.6943731     0.5470961      0.6863216 
1 1 1 3  20 23 o 0.5490561      0.5044460     1.009278       0.7297032     0.1277964      0.6981322 
1 1 1 3  20 24 f 0.8961244      0.5174216     0.4763715      0.7359311     1.306460       0.7276288 
1 1 1 3  20 25 o 1.376072       0.5336503     1.306927       0.7322097     1.454415       0.7793888 
1 1 1 3  20 26 o 0.3427692      0.5407438     0.4484277      0.7588453     0.2337701      0.7707482 
1 1 1 3  20 27 f 1.747455       0.5634134     2.165982       0.7870241     1.307497       0.8069224 
1 1 1 3  21 0  f 0.8014138      0.7521053     0.8014138      0.5318187     ?              ?         
1 1 1 3  21 1  f 0.1378786E-01  0.5434644     1.139241       0.7748256     -1.076066      0.7624729 
1 1 1 3  21 2  o 0.9061891      0.5664997     0.8336008      0.7438952     1.006402       0.8740555 
1 1 1 3  21 3  o 16.99370       0.6349179     17.58992       0.8312421     16.15871       0.9837108 
1 1 1 3  21 4  o 11.03656       0.6073498     10.58262       0.7940234     11.67666       0.9428743 
1 1 1 3  21 5  o 21.96610       0.6276670     21.60608       0.8684248     22.35988       0.9082223 
1 1 1 3  21 6  f 19.31011       0.6066707     18.95597       0.8352059     19.70566       0.8826856 
1 1 1 3  21 7  o 29.00558       0.6718585     28.35635       0.9283543     29.71959       0.9735599 
1 1 1 3  21 8  o 18.41281       0.6039901     18.89032       0.8463557     17.91725       0.8622068 
1 1 1 3  21 9  f 8.407456       0.5559009     8.857656       0.7742248     7.928380       0.7986703 
1 1 1 3  21 10 o 10.19489       0.5418286     10.40847       0.7507232     9.962665       0.7828060 
1 1 1 3  21 11 o 29.38839       0.6475685     28.25208       0.9343989     30.43853       0.8982696 
1 1 1 3  21 12 o 7.517233       0.5147208     7.048537       0.7478787     7.939046       0.7094879 
1 1 1 3  21 13 o 3.428944       0.4912691     3.833921       0.7261152     3.087077       0.6671436 
1 1 1 3  21 14 o 12.27584       0.5357590     11.87899       0.7622713     12.66327       0.7531660 
1 1 1 3  21 15 f 17.11388       0.5617066     16.52726       0.8326362     17.60383       0.7609424 
1 1 1 3  21 16 o 12.81071       0.5187286     12.05334       0.7631342     13.46120       0.7072365 
1 1 1 3  21 17 o 7.259533       0.4958476     7.563412       0.7511247     7.024825       0.6601248 
1 1 1 3  21 18 o 2.015955       0.4778655     1.404400       0.7415731     2.450229       0.6249114 
1 1 1 3  21 19 f 4.217364       0.5021676     4.004152       0.7580633     4.384088       0.6703438 
1 1 1 3  21 20 o 2.612966       0.4909515     2.171732       0.7899425     2.890666       0.6266837 
1 1 1 3  21 21 o 0.8966829E-02  0.4794793     0.7252123      0.7267847     -0.5430162     0.6380250 
1 1 1 3  21 22 o 0.4024508      0.4925897     0.5513083      0.7143610     0.2675090      0.6801513 
1 1 1 3  21 23 o 1.924825       0.5309866     1.488652       0.7532896     2.355572       0.7485895 
1 1 1 3  21 24 o 2.770197       0.5484286     1.795001       0.7723538     3.761937       0.7788776 
1 1 1 3  21 25 o 0.6209184      0.5453821     1.317727       0.7841252     -0.3205256E-01 0.7590591 
1 1 1 3  21 26 o 1.497830       0.5576087     1.597672       0.7817901     1.394443       0.7955455 
1 1 1 3  22 0  o 7.146713       0.8015342     7.146713       0.5667703     ?              ?         
1 1 1 3  22 1  o 14.50345       0.5890384     12.99591       0.8274177     16.05257       0.8387500 
1 1 1 3  22 2  o 24.51941       0.6555763     23.65631       0.9205046     25.40779       0.9338903 
1 1 1 3  22 3  o 25.29930       0.6869509     25.13039       0.9116615     25.52120       1.044903  
1 1 1 3  22 4  o 5.733314       0.5775064     5.837090       0.7525700     5.584671       0.9006735 
1 1 1 3  22 5  o 6.328633       0.5547737     6.098512       0.7829943     6.560615       0.7861524 
1 1 1 3  22 6  o 13.66788       0.5776199     13.43616       0.7999519     13.92031       0.8349256 
1 1 1 3  22 7  o 10.83086       0.5667061     11.15746       0.8046483     10.50942       0.7982766 
1 1 1 3  22 8  o -0.5281836     0.4964163     -0.8399723     0.6799335     -0.1722746     0.7264501 
1 1 1 3  22 9  o 13.56038       0.5710953     12.82921       0.8022515     14.31157       0.8131606 
1 1 1 3  22 10 o 12.34936       0.5551507     12.11779       0.7866373     12.57914       0.7835751 
1 1 1 3  22 11 o 9.711790       0.5420472     8.977420       0.7723699     10.42451       0.7608999 
1 1 1 3  22 12 o 0.7881455      0.5005437     1.038077       0.7186325     0.5526377      0.6975880 
1 1 1 3  22 13 o 1.883059       0.4878904     1.845219       0.7297336     1.913648       0.6560894 
1 1 1 3  22 14 o 0.4581963      0.4790212     0.4391181      0.7350813     0.4722778      0.6315264 
1 1 1 3  22 15 o 0.6287733      0.5002494     0.2774617      0.7360371     0.9303691      0.6819713 
1 1 1 3  22 16 o 2.492168       0.4879425     1.242545       0.7395337     3.455570       0.6493403 
1 1 1 3  22 17 f 1.856097       0.4882063     2.297486       0.7522734     1.534935       0.6416926 
1 1 1 3  22 18 o 0.4728120      0.4944537     0.3442807      0.7643434     0.5653069      0.6484001 
1 1 1 3  22 19 o 0.8686851      0.5048265     1.330823       0.7690637     0.5187962      0.6691778 
1 1 1 3  22 20 o 1.219089       0.4805712     1.042300       0.7296494     1.354537       0.6386631 
1 1 1 3  22 21 o 0.3762867      0.5274456     0.7204711      0.8524756     0.1628010      0.6713836 
1 1 1 3  22 22 o 2.695916       0.5168847     2.522258       0.7800170     2.831873       0.6901718 
1 1 1 3  22 23 o 1.747869       0.5655130     2.969172       0.8174622     0.6269329      0.7831529 
1 1 1 3  22 24 o 1.469607       0.5653058     1.464107       0.8198265     1.474592       0.7805454 
1 1 1 3  22 25 o 0.4400353      0.5752500     0.8559193      0.8373694     0.6836218E-01  0.7916105 
1 1 1 3  23 0  o 9.421131       0.7781873     9.421131       0.5502615     ?              ?         
1 1 1 3  23 1  o 10.87023       0.5657642     11.34577       0.8042335     10.40431       0.7960522 
1 1 1 3  23 2  o 10.83657       0.5661538     11.30017       0.8118170     10.39760       0.7899553 
1 1 1 3  23 3  o 6.465793       0.6074683     6.234143       0.8188316     6.749348       0.9059370 
1 1 1 3  23 4  f 9.961570       0.6036797     9.841306       0.7861102     10.13443       0.9424680 
1 1 1 3  23 5  o 6.604716       0.5569654     6.261186       0.7783158     6.965268       0.7973656 
1 1 1 3  23 6  o 2.336946       0.5304000     2.290169       0.7409847     2.386098       0.7595577 
1 1 1 3  23 7  o 11.13190       0.5709869     10.74821       0.8025845     11.52513       0.8125015 
1 1 1 3  23 8  o 26.71368       0.6574354     27.17696       0.9281868     26.24726       0.9313293 
1 1 1 3  23 9  o 15.97278       0.6067588     16.14972       0.8618355     15.79889       0.8543859 
1 1 1 3  23 10 o 11.53200       0.5729828     11.91085       0.8156618     11.16292       0.8050821 
1 1 1 3  23 11 o 0.3475165      0.5096471     -0.4430453     0.7171910     1.153967       0.7243622 
1 1 1 3  23 12 o -0.4166178E-01 0.4947873     -0.8721294E-01 0.6864697     0.7588608E-02  0.7138000 
1 1 1 3  23 13 o -0.4314311     0.5127256     -0.3066570     0.7318237     -0.5517251     0.7185650 
1 1 1 3  23 14 o 0.2227912      0.4907259     1.232061       0.7290639     -0.6132103     0.6635374 
1 1 1 3  23 15 o 1.744380       0.5139509     2.222812       0.7607235     1.342618       0.6971084 
1 1 1 3  23 16 o 2.925009       3.485862      2.925009       3.485862      ?              ?         
1 1 1 3  23 17 o 1.163496       0.5069344     1.051086       0.7786160     1.246206       0.6678830 
1 1 1 3  23 18 o 1.534739       0.5114026     1.353184       0.7973890     1.661598       0.6665385 
1 1 1 3  23 19 o 4.657329       1.679470      0.4750472      3.402920      6.004091       1.931037  
1 1 1 3  23 20 o -1.068114      0.5246298     -0.8295440     0.8236458     -1.230986      0.6805450 
1 1 1 3  23 21 o 0.5653973E-02  0.5581044     -0.8513809     0.8962135     0.5485455      0.7132943 
1 1 1 3  23 22 o 0.6857190      0.5645502     0.1912213      0.9052802     1.000415       0.7221822 
1 1 1 3  23 23 o 0.4295468      0.5699743     0.6157287      0.9323327     0.3184373      0.7202408 
1 1 1 3  23 24 o 2.519651       0.5712184     2.316510       0.8175374     2.713417       0.7984505 
1 1 1 3  24 0  o -0.5147309     0.7983623     -0.5147309     0.5645274     ?              ?         
1 1 1 3  24 1  f 1.660329       0.5632750     2.233599       0.7992542     1.094637       0.7939546 
1 1 1 3  24 2  o 4.116142       0.5669512     4.894615       0.7995741     3.328978       0.8040246 
1 1 1 3  24 3  o 4.463301       0.5986984     4.770549       0.7850256     4.036151       0.9256120 
1 1 1 3  24 4  o 13.96399       0.6350832     13.73511       0.8468362     14.25818       0.9600702 
1 1 1 3  24 5  o 7.633771       0.5471455     7.797052       0.7670250     7.464609       0.7807179 
1 1 1 3  24 6  o 22.01136       0.6483705     22.17363       0.9092631     21.84350       0.9248030 
1 1 1 3  24 7  o 19.34896       0.6348637     19.28963       0.8933149     19.40950       0.9024200 
1 1 1 3  24 8  f 9.225038       0.5829648     8.827010       0.8176154     9.636630       0.8314317 
1 1 1 3  24 9  o 1.681889       0.5445033     0.8054311      0.7735621     2.542581       0.7665733 
1 1 1 3  24 11 o 1.707699       0.5370284     1.122901       0.7640686     2.278635       0.7549589 
1 1 1 3  24 12 o 1.726286       0.5244581     1.642364       0.7353054     1.813190       0.7482555 
1 1 1 3  24 13 o 1.090724       0.5404070     1.062874       0.7724437     1.117422       0.7563134 
1 1 1 3  24 14 o 0.7715247      0.5386053     1.356104       0.7603421     0.1827413      0.7630712 
1 1 1 3  24 15 o 0.9847375      0.5047039     0.9736136      0.7198782     0.9954911      0.7077935 
1 1 1 3  24 16 o 1.996333       0.5391989     2.606683       0.7946543     1.475555       0.7340332 
1 1 1 3  24 17 o -0.7523053     0.5339936     -1.204795      0.7935102     -0.3777814     0.7219183 
1 1 1 3  24 18 o 0.6197832      0.5460047     0.7791385      0.8263268     0.4962900      0.7274280 
1 1 1 3  24 19 o 1.728844       0.5443978     2.354613       0.8523187     1.297624       0.7075297 
1 1 1 3  24 20 o 0.5382397      0.5482545     0.7800611      0.8532699     0.3682053      0.7154963 
1 1 1 3  24 21 o 1.929261       0.5720387     2.172945       0.9241792     1.777916       0.7283265 
1 1 1 3  24 22 o 1.004856       0.5934454     1.205546       0.9577016     0.8797640      0.7561030 
1 1 1 3  25 0  o 4.051155       0.7983221     4.051155       0.5644990     ?              ?         
1 1 1 3  25 1  o -0.2994163     0.5509114     -0.5613815     0.7748051     -0.3155218E-01 0.7834802 
1 1 1 3  25 2  o -0.4333502     0.5493889     -0.9081689     0.7674661     0.6569436E-01  0.7868012 
1 1 1 3  25 3  f 5.029843       0.6027614     4.609215       0.7809543     5.649645       0.9479873 
1 1 1 3  25 4  o 3.414947       0.5400890     3.017467       0.7626726     3.814788       0.7649348 
1 1 1 3  25 5  o 7.930570       0.5840166     8.424406       0.8076919     7.389483       0.8454496 
1 1 1 3  25 6  o 6.897318       0.5754519     7.181895       0.8071894     6.603207       0.8206001 
1 1 1 3  25 7  o 0.8985375      0.5658996     1.951662       0.7980369     -0.1666334     0.8025883 
1 1 1 3  25 8  o 2.507787       0.5824590     3.024408       0.8041685     1.937677       0.8447737 
1 1 1 3  25 9  f 2.654197       0.5707323     2.565384       0.8072307     2.742970       0.8070441 
1 1 1 3  25 10 f 0.5447252      0.5537935     1.198997       0.7836641     -0.1079394     0.7827013 
1 1 1 3  25 11 f 0.6592281      0.5492001     0.5894041      0.7763759     0.7291639      0.7769969 
1 1 1 3  25 12 o 0.6524443      0.5707030     0.7254620      0.7976010     0.5758433      0.8169380 
1 1 1 3  25 13 o 3.583296       0.5815986     4.104504       0.8300463     3.080609       0.8151649 
1 1 1 3  25 14 o 5.523683       0.5747817     5.008662       0.8166505     6.029262       0.8091299 
1 1 1 3  25 15 o 4.961595       0.5816583     4.631724       0.8351828     5.272294       0.8105485 
1 1 1 3  25 16 o 1.622733       0.5519696     2.439351       0.8398109     1.001684       0.7323771 
1 1 1 3  25 17 o 0.6555144      0.5590168     0.6102193      0.8195168     0.6949307      0.7644870 
1 1 1 3  25 18 o -0.1074338     0.5481625     0.9187645E-01  0.8470510     -0.2510484     0.7190250 
1 1 1 3  25 19 o 0.5343102      0.5620102     0.2640617      0.8667284     0.7303753      0.7382467 
1 1 1 3  25 20 o 1.575188       0.5739110     1.988988       0.8777657     1.266198       0.7584994 
1 1 1 3  25 21 o 1.096799       0.5718479     1.143021       0.8711879     1.061806       0.7580040 
1 1 1 3  26 0  o -0.7716643E-01 0.8414177     -0.7716643E-01 0.5949722     ?              ?         
1 1 1 3  26 1  o 4.743779       0.6175990     4.818961       0.8798399     4.670752       0.8671324 
1 1 1 3  26 2  o 1.175595       0.5890474     1.211601       0.8381366     1.140452       0.8280330 
1 1 1 3  26 3  o 0.5406805      0.5711223     0.4316967      0.8034877     0.6519738      0.8119569 
1 1 1 3  26 4  f 5.470102       0.5858634     5.548614       0.8161284     5.386628       0.8415271 
1 1 1 3  26 5  o 11.43849       0.6232561     10.74080       0.8671439     12.18409       0.8964196 
1 1 1 3  26 6  o 6.810744       0.5851998     6.835114       0.8042509     6.783324       0.8531028 
1 1 1 3  26 7  o 5.059999       0.5899337     5.090751       0.8241787     5.027691       0.8447874 
1 1 1 3  26 8  o 0.2902647      0.5773398     0.3679273      0.8117110     0.2107489      0.8213378 
1 1 1 3  26 9  o -0.3968433     0.5739860     -0.3829502     0.8154400     -0.4104870     0.8080875 
1 1 1 3  26 10 o 0.8607868      0.5793318     1.215847       0.8284225     0.5209479      0.8104703 
1 1 1 3  26 11 o 3.901528       0.5872103     4.291832       0.8313745     3.512973       0.8295102 
1 1 1 3  26 12 o 3.343894       0.5988967     2.876289       0.8513966     3.801895       0.8426074 
1 1 1 3  26 13 o 2.441282       0.6006302     0.4366733      0.8593476     4.355855       0.8398276 
1 1 1 3  26 14 o 2.181000       0.6078656     1.491529       0.8368602     2.951051       0.8844130 
1 1 1 3  26 15 o 0.5505922E-02  0.5855881     0.2908586      0.8429874     -0.2606008     0.8140630 
1 1 1 3  26 16 o -0.2383183     0.5663756     0.2355590      0.7910632     -0.7367153     0.8112710 
1 1 1 3  26 17 o 1.878265       0.6157504     2.907787       0.8811221     0.8955999      0.8608373 
1 1 1 3  26 18 o 1.814973       0.5744007     1.996659       0.8868767     1.683692       0.7538823 
1 1 1 3  26 19 o 0.4478867      0.5847356     0.2659225      0.8984350     0.5816079      0.7701827 
1 1 1 3  27 0  o 0.4585604      0.8760114     0.4585604      0.6194336     ?              ?         
1 1 1 3  27 1  o 0.4340867      0.6139602     0.4038190      0.8533024     0.4665755      0.8840557 
1 1 1 3  27 2  o 3.850037       0.6166312     4.706751       0.8884145     3.053668       0.8565541 
1 1 1 3  27 3  o 3.502011       0.6176718     3.928685       0.8754225     3.079025       0.8716297 
1 1 1 3  27 4  o -0.9419269     0.6062176     -1.296347      0.8706232     -0.6083696     0.8446106 
1 1 1 3  27 5  o 1.998050       0.6017858     1.829025       0.8353180     2.180440       0.8677135 
1 1 1 3  27 6  o 4.565523       0.5944504     3.810254       0.8243757     5.383643       0.8579910 
1 1 1 3  27 7  o 5.118634       0.6176385     5.045269       0.8561993     5.198233       0.8918357 
1 1 1 3  27 8  o 3.624789       0.6045997     3.201579       0.8233528     4.120037       0.8906763 
1 1 1 3  27 9  o 1.084771       0.6149225     1.752969       0.8755494     0.4343384      0.8638324 
1 1 1 3  27 10 o 1.273068       0.6198481     1.355493       0.8835325     1.193180       0.8698233 
1 1 1 3  27 11 o 0.5439505      0.6004839     -0.9389061E-01 0.8469573     1.188630       0.8514857 
1 1 1 3  27 12 o 0.3891717      0.6110420     0.3792616      0.8727959     0.3986984      0.8557440 
1 1 1 3  27 13 o 0.6338941      0.6206766     -0.6903316E-01 0.8929186     1.291062       0.8633658 
1 1 1 3  27 14 o 1.670335       0.5903813     2.022341       0.8110147     1.273525       0.8610835 
1 1 1 3  27 15 o 1.636050       0.5977097     1.963776       0.8445811     1.307223       0.8459991 
1 1 1 3  27 16 o 1.628470       0.5919539     1.281554       0.8389413     1.972438       0.8353688 
1 1 1 3  27 17 o -0.3510771     0.6159586     -0.7387918     0.9030721     -0.1379368E-01 0.8422942 
1 1 1 3  28 0  o -1.803153      0.9494326     -1.803153      0.6713502     ?              ?         
1 1 1 3  28 1  o -1.631868      0.6503221     -1.010833      0.9169437     -2.260411      0.9224698 
1 1 1 3  28 2  o 0.5064263      0.6441445     0.5937705      0.8982924     0.4139764      0.9241745 
1 1 1 3  28 3  o -0.2690608     0.6052032     -0.5000547     0.9012766     -0.7937272E-01 0.8167289 
1 1 1 3  28 4  o 1.012908       0.6292301     1.103961       0.9019228     0.9265658      0.8782797 
1 1 1 3  28 5  o 4.231068       0.6453179     4.040235       0.9160109     4.419098       0.9092610 
1 1 1 3  28 6  o 1.130714       0.6332846     -0.5672542     0.8885005     2.884055       0.9028718 
1 1 1 3  28 7  o -0.3821644     0.6219496     0.4400607E-03  0.8743615     -0.7740225     0.8848719 
1 1 1 3  28 8  o 0.5514175      0.6386970     0.6451815      0.9077791     0.4595001      0.8987958 
1 1 1 3  28 9  o 1.727426       0.6342188     0.9813839      0.8862404     2.510547       0.9079970 
1 1 1 3  28 10 o 1.314531       0.6207857     2.073395       0.9171668     0.6729461      0.8433217 
1 1 1 3  28 11 o 1.772340       0.6442943     2.617725       0.9228249     0.9683550      0.8999453 
1 1 1 3  28 12 o -0.6571892     0.6309190     -0.4780228     0.9005617     -0.8298937     0.8841725 
1 1 1 3  28 13 o 0.6982246      0.6432127     0.1996229      0.9162267     1.182742       0.9031937 
1 1 1 3  28 14 o 1.874434       0.6297409     1.606418       0.9002206     2.131278       0.8812584 
1 1 1 3  29 0  o 7.582168       1.008269      7.582168       0.7129537     ?              ?         
1 1 1 3  29 1  o 7.878660       0.6868608     8.777885       0.9760255     6.996396       0.9667763 
1 1 1 3  29 2  o 8.479606       0.7025815     8.360415       0.9881721     8.601450       0.9991191 
1 1 1 3  29 3  o 5.247561       0.6311701     5.984491       0.9516247     4.668763       0.8433669 
1 1 1 3  29 4  o 4.164184       0.6246163     3.748937       0.9504409     4.479868       0.8287018 
1 1 1 3  29 5  f 3.542130       0.6469191     3.640146       0.9307141     3.450512       0.8998308 
1 1 1 3  29 6  o 2.182629       0.6605845     2.117252       0.9393652     2.246589       0.9291340 
1 1 1 3  29 7  o 1.920703       0.6212256     1.905327       0.8754662     1.936297       0.8816580 
1 1 1 3  29 8  o 1.151058       0.6472973     1.264620       0.9313808     1.044962       0.9002461 
1 1 1 3  29 9  o 0.7216353      0.6430879     1.388138       0.9051877     0.4238876E-01  0.9138006 
1 1 1 3  29 10 o 0.2046724      0.6492490     0.3392784      0.9279228     0.7557668E-01  0.9087313 
1 1 1 3  29 11 o 1.297417       0.6576959     1.577315       0.9460968     1.035656       0.9149310 
1 1 1 3  30 0  o 1.032436       0.9523241     1.032436       0.6733948     ?              ?         
1 1 1 3  30 1  o 1.992586       0.7083482     2.123262       1.000846      1.861433       1.002668  
1 1 1 3  30 2  o 5.366868       0.7083876     6.404830       0.9771972     4.217318       1.028384  
1 1 1 3  30 3  o 1.529532       0.6461115     0.6876283      0.9803776     2.175980       0.8590712 
1 1 1 3  30 4  o 0.7659919      0.6293839     0.3686190      0.9470967     1.080264       0.8422641 
1 1 1 3  30 5  o 0.3945734      0.6900870     0.1942648      0.9835619     0.5887836      0.9684738 
1 1 1 3  30 6  o 0.4309137      0.6962126     0.5301728      0.9916603     0.3344344      0.9776753 
1 1 1 4  0  0  o 236.8623       3.663090      236.8623       2.590196      ?              ?         
1 1 1 4  0  1  o 1615.470       15.25953      1615.470       10.79012      ?              ?         
1 1 1 4  0  2  o 16.12196       0.3026968     16.12196       0.2140389     ?              ?         
1 1 1 4  0  3  o 15.05610       0.2717256     15.05610       0.1921390     ?              ?         
1 1 1 4  0  4  o 61.92900       0.9362317     61.92900       0.6620157     ?              ?         
1 1 1 4  0  5  o 72.51394       0.9899754     72.51394       0.7000183     ?              ?         
1 1 1 4  0  6  o 81.13242       1.102526      81.13242       0.7796037     ?              ?         
1 1 1 4  0  7  f 0.8903418E-01  0.1524240     0.8903418E-01  0.1077800     ?              ?         
1 1 1 4  0  8  o 74.02869       1.097809      74.02869       0.7762682     ?              ?         
1 1 1 4  0  9  o 9.436748       0.2947678     9.436748       0.2084323     ?              ?         
1 1 1 4  0  10 o 11.83884       0.3495768     11.83884       0.2471881     ?              ?         
1 1 1 4  0  11 o 43.02893       0.7697257     43.02893       0.5442783     ?              ?         
1 1 1 4  0  12 o 184.5850       2.542090      184.5850       1.797529      ?              ?         
1 1 1 4  0  13 o 29.30434       0.6286887     29.30434       0.4445500     ?              ?         
1 1 1 4  0  14 o 230.5938       3.181414      230.5938       2.249599      ?              ?         
1 1 1 4  0  15 o 1.902776       0.3953255     1.902776       0.2795373     ?              ?         
1 1 1 4  0  16 o 112.7813       1.775520      112.7813       1.255482      ?              ?         
1 1 1 4  0  17 o 3.080530       0.4453127     3.080530       0.3148836     ?              ?         
1 1 1 4  0  18 o 19.65670       0.6265926     19.65670       0.4430678     ?              ?         
1 1 1 4  0  19 o 116.0803       1.885690      116.0803       1.333384      ?              ?         
1 1 1 4  0  20 o 0.4277079      0.5622554     0.4277079      0.3975746     ?              ?         
1 1 1 4  0  21 o 3.296206       0.5851035     3.296206       0.4137306     ?              ?         
1 1 1 4  0  22 o 12.16742       0.6970696     12.16742       0.4929026     ?              ?         
1 1 1 4  0  23 o 70.30642       1.381467      70.30642       0.9768450     ?              ?         
1 1 1 4  0  24 o 2.580584       0.7175781     2.580584       0.5074043     ?              ?         
1 1 1 4  0  25 o 1.867271       0.7391123     1.867271       0.5226313     ?              ?         
1 1 1 4  0  26 o 3.645460       0.7090029     3.645460       0.5013407     ?              ?         
1 1 1 4  0  27 o -0.1680951     0.7212611     -0.1680951     0.5100086     ?              ?         
1 1 1 4  0  28 o 0.9066998      0.6783026     0.9066998      0.4796324     ?              ?         
1 1 1 4  0  29 o 2.469927       0.7034866     2.469927       0.4974401     ?              ?         
1 1 1 4  0  30 o 2.983825       0.6777242     2.983825       0.4792234     ?              ?         
1 1 1 4  0  31 o 1.412726       0.7077547     1.412726       0.5004582     ?              ?         
1 1 1 4  0  32 o 4.344606       0.7564923     4.344606       0.5349208     ?              ?         
1 1 1 4  0  33 o -1.246169      0.7387069     -1.246169      0.5223446     ?              ?         
1 1 1 4  0  34 o -0.6475693     0.7707826     -0.6475693     0.5450256     ?              ?         
1 1 1 4  0  35 o 0.3156034      0.8010128     0.3156034      0.5664016     ?              ?         
1 1 1 4  0  36 o 0.5687762      0.8279720     0.5687762      0.5854646     ?              ?         
1 1 1 4  1  0  o 421.4736       4.210524      421.4736       2.977290      ?              ?         
1 1 1 4  1  1  o 185.5830       1.437346      186.3935       2.005800      184.7276       2.060740  
1 1 1 4  1  2  f 603.2706       4.069004      601.8730       5.676696      604.7475       5.835470  
1 1 1 4  1  3  o 790.4279       5.389512      801.1036       7.375113      778.1931       7.895291  
1 1 1 4  1  4  o 27.01645       0.3197714     26.48986       0.4251342     27.70251       0.4852563 
1 1 1 4  1  5  o 55.61686       0.6896346     55.90831       0.9718230     55.32121       0.9787956 
1 1 1 4  1  6  f 121.6239       1.142916      126.2207       1.537443      115.9457       1.708750  
1 1 1 4  1  7  o 18.18667       0.2702542     18.22725       0.3636087     18.13658       0.4039627 
1 1 1 4  1  8  o 203.6573       1.773946      201.5684       2.490797      205.8074       2.527072  
1 1 1 4  1  9  f 29.12719       0.3861581     28.74571       0.5442025     29.51406       0.5480376 
1 1 1 4  1  10 o 8.192011       0.2192985     7.663957       0.3062279     8.747900       0.3141955 
1 1 1 4  1  11 o 217.4412       1.994413      216.3909       2.822912      218.4880       2.818144  
1 1 1 4  1  12 o 13.69755       0.2950804     13.26246       0.4137370     14.14799       0.4209705 
1 1 1 4  1  13 o 129.1999       1.353705      131.0851       1.922276      127.3453       1.906677  
1 1 1 4  1  14 o 6.682599       0.2797917     6.656243       0.3961371     6.708834       0.3952347 
1 1 1 4  1  15 o 87.05779       1.001891      88.19972       1.416860      85.91576       1.416916  
1 1 1 4  1  16 o 16.08918       0.3803981     15.30102       0.5285965     16.93580       0.5478480 
1 1 1 4  1  17 o 22.69289       0.4441442     23.45314       0.6305108     21.94408       0.6257457 
1 1 1 4  1  18 o 19.29308       0.4475051     18.45651       0.6262082     20.16622       0.6397446 
1 1 1 4  1  19 o 19.42083       0.4734518     19.61276       0.6661628     19.22494       0.6730137 
1 1 1 4  1  20 o 41.32402       0.6548294     41.56836       0.9191635     41.07219       0.9331318 
1 1 1 4  1  21 o 32.49728       0.6059405     31.90107       0.8540362     33.10163       0.8598521 
1 1 1 4  1  22 o 33.26190       0.6369073     32.55953       0.8966346     33.97723       0.9048678 
1 1 1 4  1  23 o 12.43840       0.5294658     12.54460       0.7467725     12.33104       0.7507992 
1 1 1 4  1  24 o 6.434703       0.5287377     6.758408       0.7490328     6.113209       0.7464697 
1 1 1 4  1  25 o 0.8379547      0.5144315     0.4168102      0.7187079     1.280396       0.7366561 
1 1 1 4  1  26 f 2.583440       0.5154070     2.798210       0.7284942     2.368196       0.7292976 
1 1 1 4  1  27 o 2.534698       0.5109488     2.566690       0.7043595     2.499165       0.7423151 
1 1 1 4  1  28 o 1.249577       0.4803373     0.6990148      0.6794048     1.799798       0.6791942 
1 1 1 4  1  29 o 1.475035       0.4833158     1.858250       0.6779446     1.078968       0.6892184 
1 1 1 4  1  30 o 1.803835       0.4858134     2.076097       0.6919200     1.539115       0.6822695 
1 1 1 4  1  31 o -0.1232102     0.4872194     0.1974162      0.6955457     -0.4321016     0.6826985 
1 1 1 4  1  32 o 2.719724       0.5708912     1.282980       0.8693664     3.808999       0.7569758 
1 1 1 4  1  33 o -0.1124209     0.5270558     -0.1273046     0.7441796     -0.9744158E-01 0.7465651 
1 1 1 4  1  34 o -0.5616627     0.5467382     -0.8152438     0.7747245     -0.3100618     0.7716936 
1 1 1 4  1  35 o 0.2052389      0.5738961     1.120167       0.8005040     -0.7622935     0.8231950 
1 1 1 4  1  36 o 0.6124417      0.5972646     0.6349769      0.8292410     0.5881488      0.8609717 
1 1 1 4  2  0  o 244.5163       2.487711      244.5163       1.759077      ?              ?         
1 1 1 4  2  1  o 203.7553       1.533560      207.0925       2.180549      200.4892       2.157203  
1 1 1 4  2  2  o 305.0083       2.164998      309.2265       3.068134      300.8248       3.055445  
1 1 1 4  2  3  o 13.62050       0.1968029     12.81888       0.2647999     14.60966       0.2941509 
1 1 1 4  2  4  o 255.3531       2.057440      251.4270       2.813056      259.8688       3.016950  
1 1 1 4  2  5  f 20.27939       0.2782362     19.63014       0.3651002     21.17881       0.4297214 
1 1 1 4  2  6  o 13.91128       0.2183334     13.95914       0.2715594     13.82378       0.3671748 
1 1 1 4  2  7  o 117.4260       1.107171      118.3541       1.561700      116.4881       1.569884  
1 1 1 4  2  8  o 292.1672       2.402339      288.5575       3.381226      295.8468       3.413850  
1 1 1 4  2  9  o 7.602185       0.2005400     8.642594       0.2858168     6.593349       0.2814465 
1 1 1 4  2  10 o 79.10188       0.8543390     78.54840       1.203948      79.66328       1.212533  
1 1 1 4  2  11 o 135.9953       1.361920      137.3978       1.918280      134.5699       1.933906  
1 1 1 4  2  12 o 28.47670       0.4239724     27.98297       0.5938190     28.99010       0.6055274 
1 1 1 4  2  13 o 69.80617       0.8127526     69.04188       1.147364      70.57593       1.151458  
1 1 1 4  2  14 o 10.06580       0.3044269     10.14983       0.4277007     9.979511       0.4334052 
1 1 1 4  2  15 o 38.96640       0.5547767     38.00380       0.7755457     39.97515       0.7939225 
1 1 1 4  2  16 o 117.5424       1.388582      120.1985       1.974539      114.9437       1.953140  
1 1 1 4  2  17 o 110.5100       1.243717      111.8583       1.761695      109.1702       1.756082  
1 1 1 4  2  18 o 20.36656       0.4474088     21.83954       0.6389276     18.94936       0.6267124 
1 1 1 4  2  19 o 6.328698       0.3784323     6.543468       0.5286644     6.102996       0.5419511 
1 1 1 4  2  20 o -0.1920284     0.3772272     0.7283003E-01  0.5232294     -0.4787084     0.5443571 
1 1 1 4  2  21 o 23.37192       0.5340577     23.59055       0.7454837     23.14141       0.7654556 
1 1 1 4  2  22 o 6.150266       0.4612535     6.223503       0.6403512     6.071290       0.6649668 
1 1 1 4  2  23 f 6.208806       0.5035852     6.761003       0.7058920     5.636496       0.7186330 
1 1 1 4  2  24 o 75.84447       19.01192      195.8860       54.20251      59.00377       20.30176  
1 1 1 4  2  25 o 2.447379       0.5068287     3.059039       0.7174852     1.838173       0.7160449 
1 1 1 4  2  26 o 2.961870       0.5095204     2.546574       0.7145383     3.391493       0.7267582 
1 1 1 4  2  27 o 1.672972       0.4865137     1.707537       0.6755741     1.635733       0.7012104 
1 1 1 4  2  28 o 1.005275       0.4741212     1.061768       0.6755833     0.9504484      0.6655465 
1 1 1 4  2  29 o 3.572371       0.4930918     2.948336       0.6942028     4.207806       0.7005141 
1 1 1 4  2  30 f 2.581396       0.4869614     2.458861       0.6804290     2.710051       0.6972126 
1 1 1 4  2  31 o 1.301113       0.4852861     1.686515       0.6847978     0.9123142      0.6878085 
1 1 1 4  2  32 o 2.342371       0.5222550     2.501228       0.7381895     2.183179       0.7389714 
1 1 1 4  2  33 o -0.5116808     0.5356941     -0.6321868     0.7537530     -0.3886921     0.7614778 
1 1 1 4  2  34 o -0.3189488     0.5558814     0.4226858E-01  0.7928752     -0.6681393     0.7795638 
1 1 1 4  2  35 o 0.5277663      0.5710078     0.6695560E-01  0.8053764     0.9935321      0.8096949 
1 1 1 4  2  36 o -0.4608756     0.5867873     -0.6597206     0.8255954     -0.2578857     0.8341559 
1 1 1 4  3  0  o 218.6817       2.296448      218.6817       1.623834      ?              ?         
1 1 1 4  3  1  o 230.5178       1.693722      230.7132       2.408216      230.3266       2.382559  
1 1 1 4  3  2  o 53.85137       0.5229149     54.07601       0.7579251     53.64731       0.7223815 
1 1 1 4  3  3  o 8.808254       0.1666950     8.421204       0.2432834     9.150776       0.2288618 
1 1 1 4  3  4  f 202.1873       1.701815      198.4022       2.395849      206.0419       2.417758  
1 1 1 4  3  5  o 55.52612       0.6054617     55.51147       0.8341222     55.54244       0.8802425 
1 1 1 4  3  6  o 57.73135       0.6009107     58.59494       0.8687085     56.93901       0.8321050 
1 1 1 4  3  7  f 17.46704       0.2552642     16.76940       0.3458925     18.30142       0.3782729 
1 1 1 4  3  8  o 75.70956       0.7620407     78.81829       1.065487      72.45424       1.090318  
1 1 1 4  3  9  o 29.17349       0.3941296     28.54995       0.5517245     29.82329       0.5632201 
1 1 1 4  3  10 o 6.521365       0.2144382     5.792159       0.2967543     7.318230       0.3102163 
1 1 1 4  3  11 o 57.05811       0.6704313     59.10140       0.9592901     55.10719       0.9373562 
1 1 1 4  3  12 o 24.45924       0.3923241     25.93736       0.5626989     23.06101       0.5472825 
1 1 1 4  3  13 o 0.8946602      0.2334294     0.9814507      0.3277926     0.8053613      0.3324958 
1 1 1 4  3  14 o 7.718765       0.2935360     8.030251       0.4123339     7.398709       0.4179686 
1 1 1 4  3  15 o 87.58275       1.008075      86.63074       1.419729      88.55076       1.431612  
1 1 1 4  3  16 o 113.2208       1.262009      114.0739       1.786322      112.3706       1.783182  
1 1 1 4  3  17 o 99.27732       1.140662      98.53292       1.605245      100.0366       1.621153  
1 1 1 4  3  18 o 9.012563       0.3786300     8.470085       0.5276830     9.588258       0.5435990 
1 1 1 4  3  19 f 5.851665       0.3865772     6.101744       0.5526074     5.611996       0.5409833 
1 1 1 4  3  20 o 21.37277       0.5000702     22.06471       0.7100740     20.69190       0.7043725 
1 1 1 4  3  21 o 2.815997       0.4307412     2.820404       0.5966122     2.811199       0.6225344 
1 1 1 4  3  22 o 19.85017       0.5454280     20.26286       0.7741914     19.44348       0.7685432 
1 1 1 4  3  23 o 25.72024       0.6064481     24.24911       0.8391159     27.32891       0.8774629 
1 1 1 4  3  24 o 2.789520       0.5101478     3.592265       0.7106867     1.936195       0.7327340 
1 1 1 4  3  25 o 23.03445       0.6203956     23.80268       0.8756983     22.26033       0.8790551 
1 1 1 4  3  26 o 17.22511       0.5799646     16.77992       0.8175771     17.67604       0.8228359 
1 1 1 4  3  27 f 7.835545       0.5177898     7.575689       0.7366427     8.089314       0.7279654 
1 1 1 4  3  28 o 7.009325       0.4992481     6.259998       0.6888150     7.838606       0.7246330 
1 1 1 4  3  29 o 0.7861455      0.4760042     0.8503547      0.6718396     0.7214245      0.6745117 
1 1 1 4  3  30 o 1.268823       0.4771706     1.173733       0.6678821     1.367970       0.6819809 
1 1 1 4  3  31 o 2.647612       0.5076410     3.187193       0.7219017     2.119794       0.7139893 
1 1 1 4  3  32 o 1.250164       0.4979514     1.439006       0.6990097     1.055596       0.7095273 
1 1 1 4  3  33 o 0.4302301      0.5322206     0.4021046      0.7532351     0.4582718      0.7521134 
1 1 1 4  3  34 o 0.8869779      0.5501146     1.283499       0.7860339     0.5063030      0.7701678 
1 1 1 4  3  35 o 0.4532408E-01  0.5754827     -0.8722714     0.8068860     0.9953216      0.8210087 
1 1 1 4  3  36 o -0.6034647     0.5846969     -1.021114      0.8212455     -0.1741403     0.8326449 
1 1 1 4  4  0  o 1019.484       9.363689      1019.484       6.621128      ?              ?         
1 1 1 4  4  1  o 142.0900       1.183534      138.9152       1.658267      145.3864       1.689716  
1 1 1 4  4  2  o 134.8691       1.138597      137.4815       1.634572      132.4068       1.586925  
1 1 1 4  4  3  o 83.75473       0.8248172     85.65208       1.212636      82.12114       1.125200  
1 1 1 4  4  4  o 32.08593       0.3854870     31.80426       0.5589449     32.34144       0.5323490 
1 1 1 4  4  5  o 234.9358       1.992418      230.9086       2.811879      238.9966       2.823567  
1 1 1 4  4  6  o 17.33503       0.2627595     17.55666       0.3888525     17.14879       0.3564538 
1 1 1 4  4  7  o 101.3984       0.9493274     99.57463       1.336809      103.2539       1.348369  
1 1 1 4  4  8  f 69.31301       0.7253423     67.20286       0.9827830     71.83767       1.074984  
1 1 1 4  4  9  o 149.6345       1.402605      148.4357       1.931467      150.9720       2.040161  
1 1 1 4  4  10 o 120.7357       1.181527      123.7808       1.642006      117.4662       1.701442  
1 1 1 4  4  11 o 8.008196       0.2354859     7.610380       0.3122515     8.532849       0.3585913 
1 1 1 4  4  12 o 12.76619       0.3036163     12.60070       0.4276778     12.93433       0.4310992 
1 1 1 4  4  13 o 25.24946       0.4216172     27.33094       0.6092786     23.33688       0.5840358 
1 1 1 4  4  14 o 91.66884       1.042746      92.70342       1.481663      90.65358       1.467767  
1 1 1 4  4  15 o 50.15644       0.6636164     50.14655       0.9392756     50.16631       0.9377171 
1 1 1 4  4  16 o 0.7106414      0.2894494     0.9978224      0.4025281     0.4031534      0.4165167 
1 1 1 4  4  17 o 166.9790       1.782715      166.2246       2.518113      167.7371       2.524176  
1 1 1 4  4  18 o 31.90391       0.5558089     31.66247       0.7825559     32.14969       0.7895558 
1 1 1 4  4  19 o 33.88511       0.6013570     32.96780       0.8201054     34.95195       0.8844268 
1 1 1 4  4  20 o 31.81554       0.5844048     33.22443       0.8271074     30.41097       0.8258406 
1 1 1 4  4  21 o 51.32862       0.7730956     51.57128       1.095955      51.08828       1.090708  
1 1 1 4  4  22 o 7.448446       0.4845896     6.861825       0.6675934     8.101764       0.7045234 
1 1 1 4  4  23 o 3.361683       0.4792876     2.902107       0.6587397     3.878634       0.6986495 
1 1 1 4  4  24 o 3.203054       0.5032127     2.808836       0.7076391     3.606339       0.7157302 
1 1 1 4  4  25 o 6.220877       0.5197096     6.434650       0.7235728     5.993070       0.7469452 
1 1 1 4  4  26 o 9.542703       0.5385497     8.800759       0.7613294     10.28580       0.7619196 
1 1 1 4  4  27 o -0.5788082     0.4868003     -0.5532960     0.6809703     -0.6054713     0.6961601 
1 1 1 4  4  28 f 0.8555830      0.4795747     0.4464932      0.6612203     1.309628       0.6966045 
1 1 1 4  4  29 o 0.9521763      0.4800087     0.7276552      0.6800792     1.175061       0.6775971 
1 1 1 4  4  30 o -0.8324832E-01 0.4838806     -0.9674072E-01 0.6769305     -0.6915107E-01 0.6919373 
1 1 1 4  4  31 o -0.3782980     0.4981635     0.3747474      0.7148243     -1.089394      0.6946288 
1 1 1 4  4  32 o -0.3175589     0.5068221     0.4774783      0.7133601     -1.127911      0.7201983 
1 1 1 4  4  33 o -0.5604804     0.5326623     -1.159561      0.7570561     0.2685147E-01  0.7495959 
1 1 1 4  4  34 o 1.003152       0.5426778     0.8857224      0.7605805     1.124931       0.7745344 
1 1 1 4  4  35 o 0.2535759      0.5717846     0.2578076      0.8051406     0.2492701      0.8121563 
1 1 1 4  4  36 o -0.5235445E-01 0.5820761     0.8928108E-01  0.7950381     -0.2159832     0.8545386 
1 1 1 4  5  0  o 36.23879       0.5610324     36.23879       0.3967098     ?              ?         
1 1 1 4  5  1  o 11.24257       0.1971603     10.71421       0.2771293     11.78406       0.2805558 
1 1 1 4  5  2  o 40.08313       0.4307540     40.16325       0.6090283     40.00294       0.6093281 
1 1 1 4  5  3  f 40.02417       0.4424069     40.08578       0.6454953     39.96960       0.6075436 
1 1 1 4  5  4  o 0.9025948      0.1481992     0.9365830      0.2119368     0.8700742      0.2073105 
1 1 1 4  5  5  o 210.9978       1.826012      215.6826       2.666703      206.8622       2.505566  
1 1 1 4  5  6  f 268.2013       2.180800      268.4605       3.242406      267.9872       2.946954  
1 1 1 4  5  7  o 92.30025       0.9377984     94.94287       1.393132      90.11050       1.268155  
1 1 1 4  5  8  o 13.21168       0.2479718     13.36444       0.3545624     13.06543       0.3469322 
1 1 1 4  5  9  o 1.478236       0.1712326     1.310865       0.2442834     1.639911       0.2400900 
1 1 1 4  5  10 o 17.31140       0.3098456     18.53008       0.4256791     15.93815       0.4518682 
1 1 1 4  5  11 f 135.3557       1.359708      137.1305       1.866843      133.3505       1.984370  
1 1 1 4  5  12 o 440.7852       3.737674      451.0212       5.247084      430.2409       5.325529  
1 1 1 4  5  13 o 377.9321       3.297594      382.6538       4.614875      373.0060       4.713700  
1 1 1 4  5  14 f 117.7842       1.286390      116.0243       1.811173      119.5757       1.827396  
1 1 1 4  5  15 o 169.2632       1.808332      168.6475       2.640656      169.8068       2.481495  
1 1 1 4  5  16 o 268.2109       2.655489      269.5118       3.776872      266.9391       3.734347  
1 1 1 4  5  17 o 62.28067       0.8119918     60.38090       1.147328      64.18708       1.149335  
1 1 1 4  5  18 o 3.210542       0.3650309     3.304185       0.5146369     3.115729       0.5178414 
1 1 1 4  5  19 o 10.07815       0.4196187     9.791080       0.5926828     10.36667       0.5941809 
1 1 1 4  5  20 o 70.10259       0.9307308     70.02324       1.321555      70.18068       1.311012  
1 1 1 4  5  21 o 33.40261       0.6335934     33.41476       0.8990698     33.39062       0.8930333 
1 1 1 4  5  22 o 12.92612       0.5224206     12.98345       0.7382036     12.86861       0.7394264 
1 1 1 4  5  23 o 10.19564       0.5157322     10.25158       0.7156713     10.13522       0.7438557 
1 1 1 4  5  24 o 0.8946164      0.5024455     1.383465       0.6958683     0.3621722      0.7262347 
1 1 1 4  5  25 o 7.257128       0.5244159     6.454173       0.7382714     8.074890       0.7450470 
1 1 1 4  5  26 f 4.923175       0.4978607     4.557874       0.6879336     5.324908       0.7214224 
1 1 1 4  5  27 o 1.883087       0.4813969     1.466993       0.6603431     2.355051       0.7032798 
1 1 1 4  5  28 o 3.729098       0.4827597     3.891849       0.6647732     3.547498       0.7022152 
1 1 1 4  5  29 o 1.330528       0.4672738     2.354452       0.6467460     0.2123252      0.6758654 
1 1 1 4  5  30 f 1.902742       0.4859230     2.039505       0.6771685     1.757565       0.6976886 
1 1 1 4  5  31 o 0.2895311      0.5095106     0.9642359      0.7137963     -0.4113541     0.7275131 
1 1 1 4  5  32 o 1.189385       0.5138294     0.9149981      0.7193812     1.475172       0.7341737 
1 1 1 4  5  33 o 1.270222       0.5352771     1.093192       0.7521446     1.451895       0.7619429 
1 1 1 4  5  34 o 1.350681       0.5418528     1.384871       0.7482045     1.312971       0.7857656 
1 1 1 4  5  35 o 0.1085059      0.5653617     0.3223469      0.7959478     -0.1092419     0.8031856 
1 1 1 4  5  36 o 0.6696347E-01  0.5917723     -1.258555      0.8129776     1.560791       0.8630500 
1 1 1 4  6  0  o 1569.626       14.03375      1569.626       9.923363      ?              ?         
1 1 1 4  6  1  o 54.85846       0.5668398     54.29361       0.8007114     55.42591       0.8025569 
1 1 1 4  6  2  o 225.5300       1.868402      220.7408       2.703657      229.9079       2.584976  
1 1 1 4  6  3  o 57.19951       0.6021048     58.16306       0.8811320     56.35547       0.8246782 
1 1 1 4  6  4  o 139.3599       1.299746      142.5141       1.853506      136.3084       1.823108  
1 1 1 4  6  5  o 50.85508       0.5726206     50.26638       0.8053462     51.45702       0.8143445 
1 1 1 4  6  6  o 417.0749       3.247841      420.9150       4.836856      413.9218       4.382904  
1 1 1 4  6  7  f 33.94792       0.4328003     35.14451       0.6647660     33.06754       0.5702024 
1 1 1 4  6  8  o 93.32536       0.9232519     91.46673       1.332026      95.04387       1.280830  
1 1 1 4  6  9  o 49.47394       0.5766320     49.98755       0.8207722     48.97336       0.8102903 
1 1 1 4  6  10 o 26.36014       0.3810806     28.14758       0.5489967     24.69806       0.5293962 
1 1 1 4  6  11 o 293.2299       2.609468      292.0071       3.595553      294.5906       3.793053  
1 1 1 4  6  12 f 30.72992       0.4560655     31.14269       0.6222787     30.25091       0.6703487 
1 1 1 4  6  13 o 23.32279       0.4002440     23.16733       0.5448431     23.50502       0.5898989 
1 1 1 4  6  14 o 61.84017       0.7498368     59.97413       1.020349      64.03119       1.105637  
1 1 1 4  6  15 o 197.3645       1.956444      197.3773       2.690545      197.3500       2.849996  
1 1 1 4  6  16 o 36.48607       0.5518895     37.71791       0.7558588     35.07948       0.8076965 
1 1 1 4  6  17 o 81.25493       0.9994414     80.83510       1.416556      81.67107       1.410312  
1 1 1 4  6  18 o 66.42879       0.8819311     65.62012       1.244825      67.24377       1.249667  
1 1 1 4  6  19 o 11.53072       0.4397674     11.02711       0.6192914     12.04299       0.6245926 
1 1 1 4  6  20 o 3.925264       0.4187234     4.286802       0.5974480     3.576239       0.5870185 
1 1 1 4  6  21 f 17.34073       0.5237486     17.41601       0.7471897     17.26802       0.7343616 
1 1 1 4  6  22 o 7.161478       0.4958171     7.637505       0.6951209     6.668452       0.7074236 
1 1 1 4  6  23 o 13.88113       0.5455714     14.20370       0.7774547     13.56817       0.7657865 
1 1 1 4  6  24 o 2.818200       0.5018747     3.449810       0.7066412     2.175323       0.7129166 
1 1 1 4  6  25 o 8.855193       0.5268807     9.508722       0.7461488     8.205249       0.7440992 
1 1 1 4  6  26 o 1.207628       0.4802809     1.192238       0.6735820     1.223544       0.6850017 
1 1 1 4  6  27 o 6.668408       0.4998690     7.046826       0.7026775     6.280708       0.7112435 
1 1 1 4  6  28 o 4.619462       0.4807595     4.670895       0.6617408     4.561972       0.6996339 
1 1 1 4  6  29 o 2.077251       0.4800909     2.295791       0.6527330     1.819696       0.7086055 
1 1 1 4  6  30 o 1.779148       0.4866363     1.621728       0.6647565     1.960923       0.7143298 
1 1 1 4  6  31 o -0.3424864     0.4886151     -0.2723060E-01 0.6720452     -0.6960121     0.7116681 
1 1 1 4  6  32 o 1.431366       0.5166652     0.3509216      0.7148938     2.612772       0.7475495 
1 1 1 4  6  33 f 0.4511021      0.5339712     0.6738603      0.7448605     0.2155965      0.7658767 
1 1 1 4  6  34 o 0.3002192      0.5455587     1.031138       0.7555490     -0.4960124     0.7885838 
1 1 1 4  6  35 o 0.2448954      0.5627873     0.4767126      0.7844080     -0.1024257E-02 0.8079154 
1 1 1 4  6  36 o -0.6683394     0.5817339     -0.3654644     0.7960156     -1.015521      0.8522525 
1 1 1 4  7  0  o 138.4606       1.745136      138.4606       1.233998      ?              ?         
1 1 1 4  7  1  o 403.9494       3.031822      405.2079       4.294714      402.6991       4.280608  
1 1 1 4  7  2  o 192.2178       1.692126      191.8582       2.462670      192.5395       2.328978  
1 1 1 4  7  3  o 97.72285       0.9606981     97.89088       1.396997      97.57211       1.323264  
1 1 1 4  7  4  o 185.9471       1.692783      184.4638       2.388552      187.4440       2.399397  
1 1 1 4  7  5  o 105.8780       1.069390      106.6571       1.513610      105.1015       1.511084  
1 1 1 4  7  6  o 14.88644       0.2773930     14.33342       0.4032550     15.38317       0.3821787 
1 1 1 4  7  7  o 156.1604       1.474937      157.5014       2.221271      155.1028       1.972561  
1 1 1 4  7  8  o 20.40671       0.3445950     21.22758       0.5334579     19.81891       0.4514146 
1 1 1 4  7  9  o 138.6712       1.303811      135.1929       1.875234      141.9261       1.814025  
1 1 1 4  7  10 o 16.30387       3.172586      13.80997       5.046246      17.93393       4.079731  
1 1 1 4  7  11 o 17.68285       0.3358216     15.92296       0.4675586     19.55816       0.4826476 
1 1 1 4  7  12 o 81.81203       0.9129398     82.99217       1.258057      80.49927       1.326873  
1 1 1 4  7  13 o 1.695463       0.2684084     1.729976       0.3652401     1.654940       0.3957688 
1 1 1 4  7  14 o 110.7965       1.242966      110.7505       1.639835      110.8585       1.905584  
1 1 1 4  7  15 o 110.4042       1.211569      109.6678       1.657684      111.2487       1.775178  
1 1 1 4  7  16 o 54.28584       0.7190404     54.01355       0.9844157     54.59726       1.052776  
1 1 1 4  7  17 f 67.43700       0.8484001     65.55271       1.154249      69.65132       1.251251  
1 1 1 4  7  18 o 4.621376       0.3753554     4.584001       0.5072474     4.666612       0.5580468 
1 1 1 4  7  19 o 20.58641       0.4894303     20.58362       0.6603227     20.58982       0.7290938 
1 1 1 4  7  20 o 1.139908       0.4276413     1.664961       0.6074843     0.6241136      0.6021039 
1 1 1 4  7  21 o 14.78969       0.5247737     15.73525       0.7524344     13.89416       0.7322607 
1 1 1 4  7  22 o 17.50886       0.5761710     17.42452       0.8081106     17.59607       0.8217174 
1 1 1 4  7  23 o 19.62547       0.5933486     20.76154       0.8522029     18.55658       0.8266248 
1 1 1 4  7  24 o 22.72099       0.6185588     22.79507       0.8847654     22.65016       0.8651142 
1 1 1 4  7  25 o 9.503349       0.5266557     9.657442       0.7461889     9.350395       0.7434261 
1 1 1 4  7  26 o 11.40707       0.5225004     12.24777       0.7398968     10.57077       0.7379612 
1 1 1 4  7  27 o 9.088655       0.5046412     9.661191       0.7065473     8.492435       0.7210135 
1 1 1 4  7  28 o -0.1429821     0.4558950     -0.5324897     0.6460051     0.2434724      0.6434683 
1 1 1 4  7  29 o 1.236054       0.4700599     1.907932       0.6613935     0.5503001      0.6681888 
1 1 1 4  7  30 o 0.8297879      0.4854660     1.174001       0.6794201     0.4707315      0.6939145 
1 1 1 4  7  31 o 0.4333636      0.5033315     0.8315952      0.7107460     0.3271979E-01  0.7128953 
1 1 1 4  7  32 o 0.7617787      0.5180379     1.155052       0.7131452     0.3224177      0.7537745 
1 1 1 4  7  33 o 0.4079140      0.5303169     0.2933872      0.7381709     0.5300754      0.7623775 
1 1 1 4  7  34 o -0.4221281     0.5625726     -0.6779356     0.7791653     -0.1435423     0.8131158 
1 1 1 4  7  35 o 0.9158416      0.5884640     1.485950       0.8169084     0.3009121      0.8484131 
1 1 1 4  8  0  o 99.26509       1.344731      99.26509       0.9508685     ?              ?         
1 1 1 4  8  1  o 75.04020       0.7786551     73.56297       1.125357      76.39699       1.078506  
1 1 1 4  8  2  o 79.18681       0.8146730     79.32926       1.188835      79.06069       1.118612  
1 1 1 4  8  3  o 43.31121       0.5271395     40.98487       0.7338981     45.79052       0.7576447 
1 1 1 4  8  4  o 8.638627       0.2627674     7.660634       0.3660457     9.678424       0.3774343 
1 1 1 4  8  5  o 39.40891       0.5005136     39.37294       0.7057325     39.44531       0.7099524 
1 1 1 4  8  6  o 78.37526       0.8206418     79.26275       1.196490      77.58690       1.127689  
1 1 1 4  8  7  o 234.8615       2.056100      240.1098       3.030962      230.3875       2.798463  
1 1 1 4  8  8  o 71.71751       0.7902690     73.40953       1.201765      70.42838       1.048971  
1 1 1 4  8  9  o 98.77345       1.025072      99.29084       1.550980      98.37215       1.365931  
1 1 1 4  8  10 o 16.09204       0.3224103     16.50934       0.4769444     15.74088       0.4375168 
1 1 1 4  8  11 o 115.7729       1.158030      114.2136       1.676861      117.1946       1.601164  
1 1 1 4  8  12 f 2.730885       0.2574764     3.458438       0.3806522     2.117255       0.3495820 
1 1 1 4  8  13 o 45.31455       0.5994367     46.19283       0.8496683     44.44423       0.8458079 
1 1 1 4  8  14 o 17.86821       0.3910617     18.46008       0.5284258     17.15158       0.5814598 
1 1 1 4  8  15 o 91.32970       1.049331      95.05212       1.461064      87.36423       1.508005  
1 1 1 4  8  16 o 38.13099       0.5936887     38.41796       0.8049698     37.78870       0.8791281 
1 1 1 4  8  17 f 14.14482       0.4243587     13.67720       0.5649812     14.75012       0.6427869 
1 1 1 4  8  18 o 85.92847       1.037230      84.93053       1.415321      87.08628       1.524485  
1 1 1 4  8  19 o 50.25215       0.7390565     49.43311       1.010086      51.19582       1.084214  
1 1 1 4  8  20 o 73.05035       0.9611581     73.87404       1.319286      72.11862       1.403153  
1 1 1 4  8  21 o 3.949891       0.4606243     3.977846       0.6035111     3.910881       0.7129148 
1 1 1 4  8  22 o 2.853611       0.4675328     3.246513       0.6245251     2.352671       0.7051801 
1 1 1 4  8  23 o 17.69318       0.5914199     18.06135       0.8500181     17.34770       0.8234048 
1 1 1 4  8  24 o 1.668291       0.4988901     1.963076       0.6973790     1.359297       0.7139884 
1 1 1 4  8  25 o 2.952145       0.4958775     3.795062       0.7001607     2.103832       0.7023979 
1 1 1 4  8  26 f 2.281278       0.4797208     2.266922       0.6678087     2.296585       0.6895700 
1 1 1 4  8  27 o 4.258112       0.4777454     5.039196       0.6757366     3.477502       0.6755316 
1 1 1 4  8  28 o 3.161846       0.4666632     3.352579       0.6600662     2.971234       0.6598567 
1 1 1 4  8  29 o 2.062351       0.4861339     2.501540       0.6688201     1.570434       0.7078319 
1 1 1 4  8  30 o 1.095552       0.4751133     1.043438       0.6666161     1.149355       0.6773356 
1 1 1 4  8  31 o 0.8207420      0.5001721     1.327581       0.6981082     0.2861459      0.7169693 
1 1 1 4  8  32 o 1.327703       0.5330629     2.682686       0.7393848     -0.1388762     0.7692304 
1 1 1 4  8  33 o 0.2172555      0.5428431     0.3965653      0.7564896     0.2691254E-01  0.7794159 
1 1 1 4  8  34 o 0.2622972      0.5675530     0.7189134      0.7847508     -0.2384684     0.8218135 
1 1 1 4  8  35 o -0.5175602     0.5638754     -0.7355325     0.7692044     -0.2643617     0.8290328 
1 1 1 4  9  0  o 118.5763       1.608503      118.5763       1.137383      ?              ?         
1 1 1 4  9  1  o 75.70129       0.7999329     75.10061       1.159263      76.24727       1.105222  
1 1 1 4  9  2  o 127.6163       1.242907      124.3188       1.790599      130.6823       1.726619  
1 1 1 4  9  3  f 65.44978       0.7376585     67.08535       1.053628      63.87735       1.033089  
1 1 1 4  9  4  o 10.98454       0.2929711     12.08980       0.4243292     9.977711       0.4049941 
1 1 1 4  9  5  f 143.3362       1.419720      140.8356       1.987876      145.9396       2.028310  
1 1 1 4  9  6  o 12.04597       0.3075333     10.93412       0.4222653     13.30183       0.4487803 
1 1 1 4  9  7  o 18.45315       0.3455930     17.68363       0.5073193     19.11944       0.4720672 
1 1 1 4  9  8  o 0.7547684      0.2471943     0.4884739      0.3718056     0.9657239      0.3309255 
1 1 1 4  9  9  o 158.8527       1.549145      158.7577       2.249593      158.9384       2.136430  
1 1 1 4  9  10 o 40.96739       0.5287119     42.57415       0.7822720     39.61622       0.7173610 
1 1 1 4  9  11 o 67.83913       0.7689289     68.06909       1.123306      67.63638       1.054785  
1 1 1 4  9  12 f 15.20631       0.3518077     16.77715       0.5234078     13.91179       0.4751485 
1 1 1 4  9  13 o 41.21193       0.5563843     41.84922       0.8141528     40.65351       0.7621151 
1 1 1 4  9  14 o 51.06396       0.6728181     51.14634       0.9470834     50.98002       0.9559960 
1 1 1 4  9  15 o 37.72199       0.5755655     37.58589       0.8007336     37.86748       0.8278908 
1 1 1 4  9  16 o 157.6445       1.638425      158.9183       2.319681      156.3764       2.314494  
1 1 1 4  9  17 o 60.28726       0.8126099     61.56551       1.116714      58.84862       1.184705  
1 1 1 4  9  18 f 11.09124       0.4385507     11.50649       0.5904886     10.58043       0.6549110 
1 1 1 4  9  19 o 7.224340       0.4259048     7.477224       0.5688381     6.901713       0.6425089 
1 1 1 4  9  20 o 7.906813       0.4639085     7.980752       0.6167176     7.810449       0.7040544 
1 1 1 4  9  21 f 10.82295       0.4975085     11.39053       0.6675479     10.11381       0.7461646 
1 1 1 4  9  22 o 1.665283       0.4667026     1.598523       0.6326935     1.744965       0.6912168 
1 1 1 4  9  23 o 1.184533       0.4717573     1.775573       0.6248955     0.4012806      0.7193657 
1 1 1 4  9  24 o 5.471630       0.4811740     5.387753       0.6469188     5.575492       0.7198790 
1 1 1 4  9  25 o 6.358165       0.4714108     6.535585       0.6267812     6.127089       0.7153066 
1 1 1 4  9  26 o 6.184380       0.4547290     6.765622       0.6046744     5.427777       0.6898855 
1 1 1 4  9  27 o 2.858795       0.4385445     2.460735       0.5847348     3.370551       0.6630041 
1 1 1 4  9  28 o 2.626681       0.4753752     2.882345       0.6741298     2.373801       0.6704496 
1 1 1 4  9  29 o 0.1102279E-01  0.4822292     0.2934850      0.6653275     -0.3015917     0.6999384 
1 1 1 4  9  30 o 2.010571       0.4973592     2.013370       0.6905600     2.007556       0.7169250 
1 1 1 4  9  31 o 1.321094       0.5145730     1.129838       0.7066721     1.536958       0.7507594 
1 1 1 4  9  32 f 0.2114465      0.5352672     -0.4293422     0.7387159     0.9197795      0.7766741 
1 1 1 4  9  33 o 0.1023083      0.5439938     -1.424271      0.7539079     1.760459       0.7857249 
1 1 1 4  9  34 f -0.1549774     0.5620235     -0.2666799     0.7581638     -0.1871719E-01 0.8373680 
1 1 1 4  9  35 f -0.3503175     0.5915259     -0.5943618     0.8019246     -0.5905703E-01 0.8760722 
1 1 1 4  10 0  o 88.63691       1.351252      88.63691       0.9554795     ?              ?         
1 1 1 4  10 1  o 76.37637       0.8183294     77.77637       1.198377      75.15316       1.120163  
1 1 1 4  10 2  o 2.726923       0.2573343     2.690484       0.3828572     2.756950       0.3475506 
1 1 1 4  10 3  f 12.63929       0.3246373     12.81803       0.4619636     12.46490       0.4563017 
1 1 1 4  10 4  o 114.8976       1.187617      113.0221       1.666731      116.8320       1.692659  
1 1 1 4  10 5  o 8.850291       0.3096487     9.241932       0.4323259     8.437744       0.4437150 
1 1 1 4  10 6  o 22.84865       0.4048809     22.10646       0.5667717     23.62209       0.5785872 
1 1 1 4  10 7  o 193.0092       1.823139      189.2576       2.629446      196.4826       2.530041  
1 1 1 4  10 8  o 87.90829       0.9369724     86.25326       1.361550      89.39716       1.291390  
1 1 1 4  10 9  o 14.99192       0.3459316     16.72953       0.5279055     13.68426       0.4579591 
1 1 1 4  10 10 o 159.9854       1.557917      158.9128       2.275899      160.9312       2.137099  
1 1 1 4  10 11 o 116.3676       1.197455      115.6692       1.737642      116.9993       1.652481  
1 1 1 4  10 12 o 70.30745       0.8074788     69.81485       1.174942      70.74835       1.111585  
1 1 1 4  10 13 o 111.1088       1.170373      112.8016       1.710580      109.6189       1.604795  
1 1 1 4  10 14 o 18.61944       0.4170004     18.47820       0.6087834     18.74429       0.5723560 
1 1 1 4  10 15 o 85.18073       0.9948651     86.43186       1.407600      83.93192       1.406304  
1 1 1 4  10 16 o 2.392764       0.3576574     2.697503       0.4946266     2.058835       0.5177749 
1 1 1 4  10 17 f 24.40897       0.5070233     23.55395       0.6999536     25.35288       0.7354404 
1 1 1 4  10 18 o 33.63876       0.5934046     32.49137       0.8331203     34.82028       0.8454165 
1 1 1 4  10 19 o 82.67841       1.022023      81.05710       1.437777      84.33438       1.453061  
1 1 1 4  10 20 o 21.50222       0.5630722     22.04516       0.7692471     20.87556       0.8264334 
1 1 1 4  10 21 o 2.722847       0.4710458     3.211834       0.6295698     2.100987       0.7099728 
1 1 1 4  10 22 o 11.87273       0.5154678     11.32388       0.6973913     12.53367       0.7652943 
1 1 1 4  10 23 o 3.336911       0.4682065     3.375365       0.6294283     3.289274       0.7005561 
1 1 1 4  10 24 o 2.157813       0.4645698     2.201716       0.6214751     2.102208       0.6994104 
1 1 1 4  10 25 o 0.7141083      0.4618480     1.034322       0.6328995     0.3493567      0.6754814 
1 1 1 4  10 26 o 2.472123       0.4455875     1.985938       0.5876169     3.129938       0.6835105 
1 1 1 4  10 27 o 0.1803809      0.4341583     0.2373537      0.5806854     0.1081629      0.6537781 
1 1 1 4  10 28 o 0.1926701      0.4479922     0.4041356      0.5958230     -0.8236708E-01 0.6795061 
1 1 1 4  10 29 o 0.9986018      0.4640988     0.4088422      0.6271980     1.712278       0.6899501 
1 1 1 4  10 30 o 0.2961791      0.4769924     0.3071989E-01  0.6359818     0.6375037      0.7211565 
1 1 1 4  10 31 o 2.234601       0.4929572     1.794704       0.6546453     2.810705       0.7491704 
1 1 1 4  10 32 o 0.7626485      0.5092766     0.2966562      0.6689088     1.405266       0.7855135 
1 1 1 4  10 33 o -0.9030385E-01 0.5172430     -0.3635014     0.6796252     0.2857771      0.7973918 
1 1 1 4  10 34 o -0.1699391     0.5720394     0.7415970      0.7882370     -1.184195      0.8314645 
1 1 1 4  11 0  o 369.7568       4.620835      369.7568       3.267424      ?              ?         
1 1 1 4  11 1  o 224.0476       2.126892      222.1533       2.986370      225.9975       3.029860  
1 1 1 4  11 2  o 136.1034       1.339005      138.6678       1.957548      133.8484       1.835608  
1 1 1 4  11 3  o 35.60772       0.5107515     33.39248       0.7101285     37.98178       0.7351443 
1 1 1 4  11 4  o 229.2724       2.189329      224.6326       3.061549      234.1282       3.132011  
1 1 1 4  11 5  o 40.52456       0.5563599     39.37634       0.7785453     41.72288       0.7953471 
1 1 1 4  11 6  o 81.41428       0.9100370     80.43133       1.282506      82.41110       1.291515  
1 1 1 4  11 7  o 93.94957       1.000471      92.34794       1.455820      95.38290       1.377210  
1 1 1 4  11 8  o 163.1331       1.593729      164.1963       2.323206      162.1880       2.190398  
1 1 1 4  11 9  o 267.2646       2.520837      264.2797       3.581291      270.1957       3.548932  
1 1 1 4  11 10 o 181.3737       1.765781      185.1619       2.600436      178.1327       2.405343  
1 1 1 4  11 11 o 109.1156       1.153255      111.3403       1.698522      107.2127       1.570847  
1 1 1 4  11 12 o 93.80376       1.021168      97.80222       1.509588      90.43054       1.386546  
1 1 1 4  11 13 o 186.3985       1.817805      186.8934       2.644949      185.9555       2.502491  
1 1 1 4  11 14 o 55.01896       0.7141846     56.03522       1.046467      54.13294       0.9771152 
1 1 1 4  11 15 o 35.03586       0.5599898     35.26766       0.8158374     34.82935       0.7700360 
1 1 1 4  11 16 f 37.32770       0.6100770     37.42397       0.8565860     37.22858       0.8691087 
1 1 1 4  11 17 f 0.1227748      0.3881939     0.5605945      0.5486648     -0.3160814     0.5493139 
1 1 1 4  11 18 o 8.392686       0.4522527     8.119255       0.6237748     8.695702       0.6566549 
1 1 1 4  11 19 o 22.06865       0.5526765     21.49485       0.7683484     22.68383       0.7955673 
1 1 1 4  11 20 f 25.03376       0.5890246     25.23985       0.8283560     24.82298       0.8377363 
1 1 1 4  11 21 f 16.06157       0.5265499     16.44302       0.7373846     15.66470       0.7521428 
1 1 1 4  11 22 o 0.6295863      0.4494722     -0.2103326     0.6238077     1.536455       0.6481928 
1 1 1 4  11 23 o 15.40136       0.5195751     15.13320       0.7260351     15.68285       0.7438698 
1 1 1 4  11 24 o 3.022112       0.4676776     2.067785       0.6190350     4.291141       0.7138427 
1 1 1 4  11 25 o 0.1109268      0.4518681     0.1093655      0.6019502     0.1129424      0.6839508 
1 1 1 4  11 26 o 0.7800413      0.4371879     0.9927263      0.5896738     0.5204255      0.6514919 
1 1 1 4  11 27 o 0.7944152      0.4409494     0.5049155      0.5949427     1.147280       0.6568339 
1 1 1 4  11 28 o 4.343784       0.4658570     3.957494       0.6274202     4.818405       0.6954642 
1 1 1 4  11 29 o 1.154064       0.4757242     0.6447104      0.6395674     1.784895       0.7117592 
1 1 1 4  11 30 o 1.679192       0.5224419     1.521504       0.6640902     1.935277       0.8462908 
1 1 1 4  11 31 o 2.689167       0.5140191     2.772712       0.6871810     2.583043       0.7744911 
1 1 1 4  11 32 o -0.3851053     0.5231876     -0.1748574E-02 0.6957228     -0.8840684     0.7937229 
1 1 1 4  11 33 o -0.3214877E-01 0.5281855     0.5260873      0.7017695     -0.7615923     0.8021977 
1 1 1 4  11 34 o -0.3085845     0.5507256     0.9600898E-01  0.7279838     -0.8499759     0.8421083 
1 1 1 4  12 0  o 41.02063       0.8049778     41.02063       0.5692053     ?              ?         
1 1 1 4  12 1  o 45.41272       0.6050043     44.05111       0.8486875     46.81965       0.8626950 
1 1 1 4  12 2  o 9.424829       0.3305927     9.515557       0.4924895     9.350416       0.4460151 
1 1 1 4  12 3  o 105.1307       1.131366      105.4288       1.603036      104.8349       1.596969  
1 1 1 4  12 4  o 355.3747       3.229856      356.4527       4.557096      354.2866       4.578390  
1 1 1 4  12 5  o 157.8423       1.605279      155.7318       2.256883      160.0035       2.283770  
1 1 1 4  12 6  o 66.64880       0.8048846     65.69188       1.132330      67.62610       1.144322  
1 1 1 4  12 7  o 15.63274       0.3982438     14.22088       0.5802983     16.88967       0.5475326 
1 1 1 4  12 8  o 14.52010       0.3840227     13.67058       0.5703077     15.22482       0.5194310 
1 1 1 4  12 9  o 77.12537       0.8781233     77.89085       1.290868      76.46603       1.198030  
1 1 1 4  12 10 o 17.93645       0.4155247     18.80209       0.6321411     17.27785       0.5513837 
1 1 1 4  12 11 f 34.61670       0.5408514     35.05748       0.8056351     34.25505       0.7297425 
1 1 1 4  12 12 o 45.58696       0.6481829     45.73844       0.9673660     45.46354       0.8731892 
1 1 1 4  12 13 o 76.90382       0.9015062     76.04662       1.314248      77.66558       1.238928  
1 1 1 4  12 14 o 67.25968       0.8292327     66.59546       1.209325      67.84914       1.139235  
1 1 1 4  12 15 o 23.80025       0.5080417     23.30026       0.7696474     24.18635       0.6763243 
1 1 1 4  12 16 o 18.82066       0.4684575     18.34881       0.6732759     19.26347       0.6522235 
1 1 1 4  12 17 o 25.95273       0.5576770     26.16046       0.7889352     25.74527       0.7884138 
1 1 1 4  12 18 o 9.479464       0.4801827     9.706057       0.6653364     9.233130       0.6937140 
1 1 1 4  12 19 o 7.031699       0.4741695     7.344034       0.6558530     6.689651       0.6863391 
1 1 1 4  12 20 o 1.802755       0.4697836     2.158268       0.6605592     1.438909       0.6682562 
1 1 1 4  12 21 o 3.983247       0.4636957     3.798822       0.6407173     4.186074       0.6719246 
1 1 1 4  12 22 o 0.8961841      0.4389705     0.7438969      0.6144198     1.054963       0.6273792 
1 1 1 4  12 23 o 3.643389       0.4510215     3.864667       0.6207241     3.395902       0.6564562 
1 1 1 4  12 24 o 5.015043       0.4516778     4.803567       0.6219550     5.251040       0.6570244 
1 1 1 4  12 25 o 2.086206       0.4278575     2.081482       0.5764529     2.092001       0.6384493 
1 1 1 4  12 26 o 1.270049       0.4526336     1.616519       0.5926146     0.7849058      0.7012534 
1 1 1 4  12 27 o 0.9128327      0.4658704     0.9904662      0.6475204     0.8295228      0.6707753 
1 1 1 4  12 28 o 1.553055       0.4655058     1.786600       0.6517517     1.309846       0.6651005 
1 1 1 4  12 29 o 0.4915975      0.4837226     0.5408656      0.6444411     0.4280174      0.7320833 
1 1 1 4  12 30 o 0.6858724E-01  0.5095662     0.2293851      0.6877000     -0.1271821     0.7588066 
1 1 1 4  12 31 o 0.4250850      0.4984171     0.4546072      0.6715653     0.3888826      0.7436738 
1 1 1 4  12 32 o -0.2897858     0.5213693     0.1042311      0.7059109     -0.7626838     0.7733502 
1 1 1 4  12 33 o -0.6500835     0.5484504     -0.5326315     0.7289971     -0.8032637     0.8325239 
1 1 1 4  13 0  o 681.5376       7.969599      681.5376       5.635358      ?              ?         
1 1 1 4  13 1  o 242.3599       2.338476      241.2916       3.288507      243.4528       3.326023  
1 1 1 4  13 2  o 257.5915       2.452692      255.8410       3.456407      259.3671       3.480983  
1 1 1 4  13 3  o 132.4349       1.392677      131.6446       1.957649      133.2446       1.981658  
1 1 1 4  13 4  o 75.38895       0.9486231     74.43763       1.337150      76.35291       1.346005  
1 1 1 4  13 5  o 13.40028       0.4047952     13.35769       0.5706294     13.44343       0.5743223 
1 1 1 4  13 6  o 236.3773       2.313320      237.1058       3.265316      235.6432       3.277776  
1 1 1 4  13 7  o 182.3674       1.799914      179.9984       2.613204      184.5058       2.482730  
1 1 1 4  13 8  f 416.5661       3.677976      415.2496       5.351430      417.7447       5.063399  
1 1 1 4  13 9  o 3.965074       0.3656149     3.890498       0.5565556     4.021689       0.4849284 
1 1 1 4  13 10 f 79.01030       0.9274103     78.56097       1.358274      79.40273       1.269349  
1 1 1 4  13 11 f 45.51432       0.6523063     46.46703       0.9785898     44.75251       0.8750674 
1 1 1 4  13 12 o 142.8638       1.489073      143.5382       2.179884      142.2737       2.038911  
1 1 1 4  13 13 o 54.35527       0.7599419     55.75449       1.172123      53.34057       0.9981562 
1 1 1 4  13 14 o 60.54108       0.7934863     61.10202       1.164828      60.05542       1.083860  
1 1 1 4  13 15 o 6.442486       0.4277898     6.582475       0.6462089     6.333277       0.5707634 
1 1 1 4  13 16 f 16.23765       0.4898043     16.59899       0.7265251     15.93658       0.6631769 
1 1 1 4  13 17 o 7.018568       0.4556702     8.102683       0.6780798     6.125867       0.6153129 
1 1 1 4  13 18 o 7.386792       0.4924217     7.628545       0.6927792     7.139934       0.7000566 
1 1 1 4  13 19 o 14.08956       0.5333496     14.38957       0.7483829     13.77992       0.7602989 
1 1 1 4  13 20 o 1.995539       0.4558601     1.363458       0.6329136     2.676927       0.6571355 
1 1 1 4  13 21 o 2.791665       0.4567523     2.700078       0.6445124     2.884071       0.6473877 
1 1 1 4  13 22 o 3.983025       0.4560342     3.348403       0.6241431     4.709839       0.6679418 
1 1 1 4  13 23 o 7.971207       0.5041760     7.001205       0.6900827     9.081770       0.7383913 
1 1 1 4  13 24 f 1.695980       0.4333302     1.432957       0.5895972     2.004953       0.6390257 
1 1 1 4  13 25 o 1.322326       0.4274598     1.131364       0.5944051     1.526863       0.6151683 
1 1 1 4  13 26 o 0.9877925      0.4384502     1.668462       0.6000180     0.2079098      0.6422596 
1 1 1 4  13 27 f -0.5039827     0.4429400     -0.3565500     0.6033626     -0.6763127     0.6523218 
1 1 1 4  13 28 f 3.548018       0.4699295     4.298556       0.6513417     2.733198       0.6786613 
1 1 1 4  13 29 o 0.6283673E-02  0.4738098     -0.5988622E-01 0.6582488     0.7742908E-01  0.6825481 
1 1 1 4  13 30 o 1.722023       0.5087248     1.484556       0.7056109     1.979072       0.7341272 
1 1 1 4  13 31 o 0.9306388      0.5114045     1.663644       0.6957242     0.6902898E-01  0.7542911 
1 1 1 4  13 32 o 0.1328216      0.5185080     -0.3221712     0.7186208     0.6269336      0.7488765 
1 1 1 4  13 33 o 1.409705       0.5349805     0.1922228      0.7382965     2.755703       0.7762856 
1 1 1 4  14 0  o 84.20165       1.378362      84.20165       0.9746493     ?              ?         
1 1 1 4  14 1  o 54.85738       0.7231292     54.35809       1.015444      55.37111       1.030030  
1 1 1 4  14 2  o 97.97444       1.095238      97.88812       1.542375      98.06224       1.555509  
1 1 1 4  14 3  o 29.56669       0.5420794     30.11242       0.7361534     28.92025       0.8012033 
1 1 1 4  14 4  o 93.08170       1.063521      93.94025       1.502200      92.21891       1.505897  
1 1 1 4  14 5  o 176.6770       1.813348      175.0702       2.547096      178.3284       2.582187  
1 1 1 4  14 6  o 115.0410       1.271721      114.7997       1.795801      115.2838       1.801180  
1 1 1 4  14 7  o 340.1856       3.132823      335.7629       4.547948      344.1792       4.321671  
1 1 1 4  14 8  o 88.55729       1.015349      86.32164       1.469324      90.60059       1.404696  
1 1 1 4  14 9  o 43.64307       0.6534141     43.99836       0.9575197     43.33343       0.8938923 
1 1 1 4  14 10 o 12.02395       0.4416355     12.01783       0.6672078     12.02873       0.5891788 
1 1 1 4  14 11 o 62.45258       0.8063782     63.34108       1.198371      61.71740       1.090087  
1 1 1 4  14 12 o 147.2807       1.537774      148.1671       2.256102      146.5115       2.101592  
1 1 1 4  14 13 o 22.47771       0.5197037     24.00428       0.7867112     21.29569       0.6922595 
1 1 1 4  14 14 o 6.297743       0.4571022     6.721537       0.7215669     6.013675       0.5907587 
1 1 1 4  14 15 o 11.69380       0.4624657     11.27931       0.6894014     12.03293       0.6235899 
1 1 1 4  14 16 o 18.88929       0.5381351     18.44389       0.7979476     19.26086       0.7288177 
1 1 1 4  14 17 o 12.85303       0.6717066     45.17713       14.72263      12.78561       0.6724067 
1 1 1 4  14 18 o 10.17339       0.5057079     9.765946       0.7009012     10.61582       0.7303663 
1 1 1 4  14 19 o 18.37686       0.5558512     18.14731       0.7851467     18.60752       0.7870414 
1 1 1 4  14 20 f 9.608715       0.4844184     9.209282       0.6721896     10.04030       0.6987227 
1 1 1 4  14 21 o 13.85147       0.5165579     13.85939       0.7169816     13.84293       0.7448623 
1 1 1 4  14 22 o 15.91005       0.5212401     15.87996       0.7095996     15.94530       0.7681689 
1 1 1 4  14 23 o 7.249419       0.4654604     6.891627       0.6489976     7.628392       0.6679315 
1 1 1 4  14 24 o 5.914964       0.4587094     5.549438       0.6358135     6.311735       0.6624312 
1 1 1 4  14 25 o 1.263568       0.4347673     1.069192       0.5976418     1.482067       0.6336440 
1 1 1 4  14 26 f 0.7724239      0.4392441     0.9339487E-01  0.6098682     1.504300       0.6331561 
1 1 1 4  14 27 f 1.346172       0.4567696     1.133022       0.6218264     1.595969       0.6731630 
1 1 1 4  14 28 o -0.5231982     0.4681130     -0.4256184     0.6428526     -0.6333444     0.6829929 
1 1 1 4  14 29 o 0.9463992      0.4926863     1.091122       0.6765722     0.7830117      0.7188779 
1 1 1 4  14 30 o -0.3505700E-01 0.5072723     0.4240985      0.6937578     -0.5625823     0.7436175 
1 1 1 4  14 31 o 0.1502110      0.5013436     0.4586649E-01  0.6808398     0.2738059      0.7409866 
1 1 1 4  14 32 o -0.4943937     0.5236976     -0.2983443     0.7105470     -0.7275429     0.7748665 
1 1 1 4  15 0  o 236.6437       3.310604      236.6437       2.340950      ?              ?         
1 1 1 4  15 1  o 257.0124       2.519446      254.8495       3.559624      259.1835       3.566454  
1 1 1 4  15 2  o 74.10200       0.9315009     70.80987       1.335032      77.22523       1.300336  
1 1 1 4  15 3  f 231.6190       2.392119      228.5453       3.261825      235.1959       3.518695  
1 1 1 4  15 4  o 34.77220       0.6289489     33.19853       0.8351403     36.83429       0.9559954 
1 1 1 4  15 5  o 1.467638       0.4099964     1.827587       0.5619892     1.058078       0.5994689 
1 1 1 4  15 6  o 79.52369       0.9798701     79.07956       1.373419      79.98414       1.398410  
1 1 1 4  15 7  o 79.13043       0.9463249     77.43619       1.371015      80.67212       1.307831  
1 1 1 4  15 8  f 26.97245       0.5505513     25.25588       0.8069277     28.46748       0.7530552 
1 1 1 4  15 9  o 7.387197       0.4330764     7.556263       0.6552457     7.256055       0.5770957 
1 1 1 4  15 10 o 64.08587       0.8368139     63.45251       1.229066      64.63317       1.142533  
1 1 1 4  15 11 o 80.78631       0.9721428     79.99770       1.423226      81.47607       1.331035  
1 1 1 4  15 12 o 35.67891       0.6307343     35.60275       0.9366997     35.74208       0.8531316 
1 1 1 4  15 13 o 7.257264       0.4686793     8.002114       0.7006886     6.654199       0.6304819 
1 1 1 4  15 14 o 3.529484       0.4486814     3.219795       0.6772662     3.771719       0.5989833 
1 1 1 4  15 15 o 27.56294       0.5891100     28.69266       0.8764203     26.63179       0.7956751 
1 1 1 4  15 16 o -0.3810453     0.4574011     -0.6477636     0.6767116     -0.1566924     0.6206446 
1 1 1 4  15 17 o 0.8442059      0.4623508     0.6388357      0.6969610     1.005617       0.6178833 
1 1 1 4  15 18 o 2.715195       0.4589370     3.307996       0.6968819     2.261202       0.6098585 
1 1 1 4  15 19 o 2.551907       0.4704636     3.012877       0.6654914     2.091367       0.6651806 
1 1 1 4  15 20 o 2.838490       0.4511104     2.676193       0.6299180     3.009355       0.6463315 
1 1 1 4  15 21 o 1.177881       0.4403316     1.357549       0.6035680     0.9734465      0.6438257 
1 1 1 4  15 22 o 0.8054006      0.4338715     0.4349746      0.5892274     1.244111       0.6412411 
1 1 1 4  15 23 o 0.1461502      0.4307753     0.2350344      0.5975330     0.4996322E-01  0.6215957 
1 1 1 4  15 24 f 1.077359       0.4405454     0.8691987      0.6160635     1.295202       0.6302285 
1 1 1 4  15 25 o -0.2455961     0.4404697     0.9859103E-01  0.6116948     -0.6162561     0.6347831 
1 1 1 4  15 26 o 1.285431       0.4660935     1.604223       0.6516451     0.9515063      0.6669321 
1 1 1 4  15 27 o 0.7560248      0.4661733     1.228271       0.6531873     0.2657727      0.6655229 
1 1 1 4  15 28 o 0.8036255      0.4859106     0.5595964      0.6680569     1.077745       0.7080483 
1 1 1 4  15 29 o 3.847537       0.5152624     4.116370       0.7073960     3.543706       0.7520329 
1 1 1 4  15 30 o 0.7658293      0.4991121     0.2659871      0.6716349     1.382310       0.7458931 
1 1 1 4  15 31 o 1.280036       0.5278741     2.284195       0.7369126     0.2217104      0.7565271 
1 1 1 4  15 32 o -0.3412673     0.5729582     -0.1993044     0.8066885     -0.4857906     0.8139307 
1 1 1 4  16 0  o 6.159640       0.6446975     6.159640       0.4558700     ?              ?         
1 1 1 4  16 1  o 24.88813       0.5572261     25.02282       0.7786481     24.74675       0.7977734 
1 1 1 4  16 2  f 3.007351       0.4342464     2.663166       0.6113607     3.357815       0.6169112 
1 1 1 4  16 3  o 97.06668       1.175329      96.64398       1.595587      97.56811       1.737842  
1 1 1 4  16 4  o 131.0522       1.485864      128.7371       2.016277      133.8036       2.198140  
1 1 1 4  16 5  o 152.4753       1.640679      148.4661       2.290107      156.7029       2.351657  
1 1 1 4  16 6  o 118.4655       1.332709      116.4927       1.868604      120.5080       1.901293  
1 1 1 4  16 7  o 73.73158       0.9140410     71.06326       1.318742      76.19869       1.268046  
1 1 1 4  16 8  o 39.51325       0.6786313     39.47978       1.015063      39.54031       0.9125589 
1 1 1 4  16 9  f 2.135348       0.4371426     3.106414       0.6531268     1.347324       0.5883596 
1 1 1 4  16 10 o 32.05763       0.6051697     32.04127       0.8938420     32.07148       0.8223048 
1 1 1 4  16 11 o 6.635214       0.4704135     7.079383       0.7061118     6.280767       0.6307748 
1 1 1 4  16 12 o 14.14862       0.5134182     13.68344       0.7741340     14.51391       0.6859956 
1 1 1 4  16 13 o 39.46852       0.6897027     38.03562       1.019531      40.67759       0.9365212 
1 1 1 4  16 14 f 73.25851       0.9504201     77.66406       1.427701      69.75241       1.273646  
1 1 1 4  16 15 o 31.08661       0.6355051     31.85639       0.9547734     30.47429       0.8515395 
1 1 1 4  16 16 o 23.08484       0.5981069     23.92016       0.9454218     22.52743       0.7722989 
1 1 1 4  16 17 o 7.281118       0.4905431     7.546341       0.7363073     7.069451       0.6577806 
1 1 1 4  16 18 f 7.291979       0.4695031     7.666281       0.6917114     6.972219       0.6393328 
1 1 1 4  16 19 o 3.135260       0.4425882     3.080637       0.6336383     3.187299       0.6184660 
1 1 1 4  16 20 o 4.776491       0.4669949     5.235848       0.6648161     4.329058       0.6561306 
1 1 1 4  16 21 o 7.407853       0.4738669     7.381770       0.6617489     7.435305       0.6788772 
1 1 1 4  16 22 o 9.090034       0.4783819     8.767501       0.6503123     9.470395       0.7062072 
1 1 1 4  16 23 f 1.280322       0.4289101     0.7476043      0.5840957     1.903721       0.6318567 
1 1 1 4  16 24 o 0.6048926      0.4439541     1.106887       0.6295590     0.1083253      0.6261466 
1 1 1 4  16 25 o 0.5488917      0.4620534     0.7736018      0.6512026     0.3210635      0.6557051 
1 1 1 4  16 26 f 2.925172       0.4619521     3.040920       0.6365253     2.796366       0.6714726 
1 1 1 4  16 27 o 0.8517108      0.4932418     0.5104585      0.6792173     1.232463       0.7174504 
1 1 1 4  16 28 o 3.540130       0.5209625     3.179957       0.7127957     3.953149       0.7632987 
1 1 1 4  16 29 o 0.3144392      0.5098693     0.1100319      0.7056425     0.5377458      0.7375431 
1 1 1 4  16 30 o 0.1148892      0.5247412     0.6124436      0.7274576     -0.4248308     0.7576554 
1 1 1 4  16 31 o 0.4730419      0.5355716     -0.6566839     0.7269475     1.814209       0.7920599 
1 1 1 4  17 0  o 57.76052       1.137369      57.76052       0.8042414     ?              ?         
1 1 1 4  17 1  o 1.411658       0.4566503     1.317811       0.6461954     1.505277       0.6454076 
1 1 1 4  17 2  o 32.28002       0.6210321     31.50445       0.8688480     33.09018       0.8880095 
1 1 1 4  17 3  o 201.3038       2.151215      198.1595       2.925274      205.0068       3.174546  
1 1 1 4  17 4  f 54.63926       0.8274666     53.69758       1.109761      55.81828       1.241763  
1 1 1 4  17 5  o 116.8033       1.370728      115.4698       1.859647      118.3896       2.028323  
1 1 1 4  17 6  o 41.65749       0.7024328     42.17595       0.9894682     41.13073       0.9973589 
1 1 1 4  17 7  o 36.54510       0.6515606     37.06523       0.9528710     36.08835       0.8929378 
1 1 1 4  17 8  f 4.564603       0.4763493     4.908318       0.7144886     4.289583       0.6391150 
1 1 1 4  17 9  o 23.60002       0.5805354     23.68851       0.8636918     23.52709       0.7840731 
1 1 1 4  17 10 o 32.71991       0.6365080     34.18940       0.9522070     31.53290       0.8558067 
1 1 1 4  17 11 o 1.767298       0.4733847     2.670797       0.7000762     1.006180       0.6425510 
1 1 1 4  17 12 f 18.15211       0.5615197     18.61844       0.8249411     17.74952       0.7664939 
1 1 1 4  17 13 o 27.94462       0.6163995     28.27029       0.9143751     27.67335       0.8345275 
1 1 1 4  17 14 o 1.082375       0.4805460     0.8586785      0.6871569     1.296488       0.6722767 
1 1 1 4  17 15 o 2.046428       0.4750576     1.932842       0.6890554     2.149327       0.6558404 
1 1 1 4  17 16 o 0.6178947      0.4656329     0.1800092      0.6978332     0.9693186      0.6251540 
1 1 1 4  17 17 o 4.678779       0.5010024     3.906054       0.7704742     5.244866       0.6594578 
1 1 1 4  17 18 o 2.853751       0.4569371     3.237930       0.6595182     2.499096       0.6336700 
1 1 1 4  17 19 o 0.9515620E-01  0.4313884     1.020632       0.6453243     -0.6525282     0.5800357 
1 1 1 4  17 20 o 5.736935       0.4481117     5.717067       0.6599724     5.753930       0.6103804 
1 1 1 4  17 21 o 10.26532       0.4920523     10.98962       0.7026292     9.568256       0.6892965 
1 1 1 4  17 22 o 2.400365       0.4580201     2.450566       0.6415970     2.348196       0.6540591 
1 1 1 4  17 23 f 0.8378856      0.4411896     0.7014363      0.6223679     0.9757192      0.6255168 
1 1 1 4  17 24 o 0.2222964      0.4520932     -0.1009262     0.6134939     0.6064132      0.6687919 
1 1 1 4  17 25 o 1.019296       0.4654801     0.9418629      0.6405206     1.105959       0.6776216 
1 1 1 4  17 26 o 0.9283423      0.4870094     0.6997278      0.6916043     1.153202       0.6859017 
1 1 1 4  17 27 o -0.3266214     0.4999992     -0.7086655     0.7118790     0.4534508E-01  0.7024271 
1 1 1 4  17 28 o 1.664226       0.5262761     1.299719       0.7404488     2.036349       0.7481443 
1 1 1 4  17 29 o 0.1826374      0.5312599     0.6445838      0.7401040     -0.3083989     0.7630513 
1 1 1 4  17 30 o -0.2642424     0.5443428     0.1434487E-01  0.7545075     -0.5666460     0.7860976 
1 1 1 4  18 0  o 7.857306       0.6823751     7.857306       0.4825120     ?              ?         
1 1 1 4  18 1  o 44.08688       0.7221371     42.69635       1.011017      45.53520       1.031813  
1 1 1 4  18 2  o 26.68912       0.6066161     26.33735       0.8429744     27.06692       0.8736156 
1 1 1 4  18 3  o 41.58392       0.7475638     41.06330       1.007852      42.22068       1.114623  
1 1 1 4  18 4  o 66.12743       0.9387549     66.08652       1.268083      66.17703       1.396369  
1 1 1 4  18 5  o 70.96781       0.9920447     70.39465       1.339750      71.66355       1.476061  
1 1 1 4  18 6  o 55.79484       0.8767957     56.36640       1.184425      55.10189       1.304157  
1 1 1 4  18 7  f 61.42567       0.8573834     61.44843       1.243189      61.40503       1.184021  
1 1 1 4  18 8  o 53.05716       0.7908981     52.95658       1.148461      53.14787       1.090765  
1 1 1 4  18 9  o 9.705838       0.5284987     9.716063       0.7693192     9.696701       0.7272720 
1 1 1 4  18 11 o 5.633329       0.5131395     5.945309       0.7636894     5.376544       0.6928493 
1 1 1 4  18 12 o 10.94425       0.5318945     10.02668       0.7741136     11.76487       0.7320707 
1 1 1 4  18 13 o 32.93897       0.6637717     31.79152       0.9579377     33.99873       0.9206047 
1 1 1 4  18 14 o 18.64961       0.5785753     18.10252       0.8387159     19.14634       0.7991737 
1 1 1 4  18 15 o 12.22962       0.5230748     12.63169       0.7884858     11.91359       0.6990432 
1 1 1 4  18 16 o 5.245898       0.4759228     5.911478       0.7006681     4.675791       0.6484713 
1 1 1 4  18 17 o 1.000830       0.4795883     1.196304       0.7417387     0.8604051      0.6286780 
1 1 1 4  18 18 o 0.9669657E-01  0.4780727     -0.4168339E-01 0.7351894     0.1980821      0.6292899 
1 1 1 4  18 19 o 1.393831       0.4366824     1.348694       0.6244836     1.437020       0.6108658 
1 1 1 4  18 20 o 1.607115       0.4276088     1.827331       0.6218378     1.409570       0.5889611 
1 1 1 4  18 21 f 0.8392988      0.4595627     0.8234557      0.6417280     0.8559774      0.6584336 
1 1 1 4  18 22 o 1.361535       0.4621606     1.410859       0.6458774     1.309781       0.6615934 
1 1 1 4  18 23 o 1.157434       0.4561439     1.603475       0.6472504     0.7173119      0.6429410 
1 1 1 4  18 24 o 0.6112042      0.4662046     0.6193706E-01  0.6410470     1.227861       0.6792347 
1 1 1 4  18 25 o -0.1259794     0.4876039     -0.4015003     0.6822037     0.1617818      0.6971928 
1 1 1 4  18 26 o -0.4057723     0.4914700     -0.3827843E-01 0.6838258     -0.7984097     0.7068321 
1 1 1 4  18 27 o 0.6077083      0.5087416     0.7355064      0.7170188     0.4781482      0.7219449 
1 1 1 4  18 28 o 0.8284641      0.5238807     -0.9301141E-01 0.7341216     1.784666       0.7478268 
1 1 1 4  18 29 o -0.6874086     0.5458032     -0.4564667     0.7703422     -0.9202067     0.7734316 
1 1 1 4  19 0  o 4.507844       0.6935644     4.507844       0.4904241     ?              ?         
1 1 1 4  19 1  o 24.31917       0.6220865     24.24498       0.8797557     24.39337       0.8797706 
1 1 1 4  19 2  o 26.39205       0.6359533     27.24903       0.8922719     25.50724       0.9066480 
1 1 1 4  19 3  o 35.53942       0.7248381     34.55371       0.9768664     36.74694       1.081208  
1 1 1 4  19 4  o 4.341611       0.5455877     4.501419       0.7144780     4.118083       0.8449957 
1 1 1 4  19 5  o 0.5316717      0.5404748     0.1962466      0.6839849     1.089268       0.8818780 
1 1 1 4  19 6  o 4.211482       0.5603729     3.859971       0.7416434     4.679162       0.8554614 
1 1 1 4  19 7  o 14.74263       0.5986438     14.30562       0.8014291     15.29425       0.9004095 
1 1 1 4  19 8  o 9.399604       0.5354114     9.800215       0.7677962     9.020396       0.7470040 
1 1 1 4  19 9  o 8.637589       0.5292353     7.746391       0.7649690     9.455765       0.7329603 
1 1 1 4  19 10 o 24.81051       0.6156486     24.75359       0.8859712     24.86366       0.8561136 
1 1 1 4  19 11 o 12.55269       0.5328101     12.93006       0.7565758     12.18138       0.7504758 
1 1 1 4  19 12 o 4.695599       0.4986023     4.669511       0.7389499     4.717403       0.6755658 
1 1 1 4  19 13 o 7.768436       0.5099609     8.306075       0.7543985     7.316033       0.6920198 
1 1 1 4  19 14 o 6.200918       0.4950987     5.236073       0.7267046     7.036695       0.6763544 
1 1 1 4  19 15 o 0.7446355      0.4563007     1.187930       0.6670378     0.3547449      0.6255697 
1 1 1 4  19 16 o 5.804567       0.4882427     6.470700       0.7285884     5.261610       0.6577862 
1 1 1 4  19 17 o 5.132209       0.4809462     4.763783       0.7264856     5.419657       0.6416993 
1 1 1 4  19 18 o 2.336144       0.4792149     2.554100       0.7712581     2.199085       0.6116026 
1 1 1 4  19 19 o -0.7450181E-01 0.4631898     -0.2294331     0.7462335     0.2259958E-01  0.5907692 
1 1 1 4  19 20 o 2.136819       0.4383014     1.606828       0.6393375     2.606784       0.6020454 
1 1 1 4  19 21 o 1.511459       0.4500834     1.822635       0.6598269     1.240680       0.6155097 
1 1 1 4  19 22 o 1.236914       0.4656231     0.6695606      0.6577470     1.806841       0.6592366 
1 1 1 4  19 23 o 0.4251554      0.4728618     0.4137336      0.6760961     0.4360926      0.6615947 
1 1 1 4  19 24 f 0.4036518      0.4803613     0.6988142      0.6567318     0.6404619E-01  0.7044417 
1 1 1 4  19 25 o 8.437498       0.7148980     2.340639       0.8972073     19.03961       1.183139  
1 1 1 4  19 26 f 0.2035677      0.5067176     0.8529741      0.7215585     -0.4283137     0.7117558 
1 1 1 4  19 27 o -0.7129467     0.5340721     -0.2511322     0.7552205     -1.174936      0.7553635 
1 1 1 4  19 28 o 0.2527108      0.5519895     -0.3473468     0.7872621     0.8329688      0.7741648 
1 1 1 4  20 0  o 140.6437       2.245324      140.6437       1.587684      ?              ?         
1 1 1 4  20 1  o 74.93572       1.013978      74.27023       1.424806      75.61863       1.443336  
1 1 1 4  20 2  f 66.59032       0.9454808     65.63059       1.319893      67.60183       1.355023  
1 1 1 4  20 3  o 69.46548       0.9984414     68.45197       1.335063      70.75172       1.504004  
1 1 1 4  20 4  o 12.31969       0.6047626     11.73095       0.7867124     13.17017       0.9455561 
1 1 1 4  20 5  f 0.7506258      0.5463439     0.8713859      0.7057158     0.5699839      0.8631327 
1 1 1 4  20 6  o 9.973146       0.5704291     10.37382       0.7864170     9.528272       0.8286565 
1 1 1 4  20 7  o 11.96958       0.5750610     12.63557       0.7859508     11.20225       0.8436272 
1 1 1 4  20 8  o 2.293266       0.5346105     2.382543       0.7371495     2.194206       0.7764903 
1 1 1 4  20 9  o 12.80817       0.5427412     12.43393       0.7733331     13.17142       0.7618986 
1 1 1 4  20 10 o 7.854005       0.5333803     7.930161       0.7683609     7.783173       0.7410097 
1 1 1 4  20 11 o 5.394970       0.5094809     5.175337       0.7463880     5.586585       0.6971582 
1 1 1 4  20 12 o 2.400599       0.4844686     1.885467       0.6928778     2.893351       0.6776597 
1 1 1 4  20 13 o 0.5015744      0.4846869     1.382061       0.7135379     -0.2527437     0.6604392 
1 1 1 4  20 14 o 3.896599       0.4936386     3.120616       0.7153546     4.602022       0.6820560 
1 1 1 4  20 15 o 17.94076       0.5601736     17.24193       0.8236203     18.54228       0.7641306 
1 1 1 4  20 16 o 18.79584       0.5629885     18.67624       0.8449143     18.89135       0.7550199 
1 1 1 4  20 17 f 10.24219       0.4973087     10.70002       0.7350604     9.855751       0.6753313 
1 1 1 4  20 18 o 9.145738       0.4993322     9.025363       0.7634933     9.235708       0.6600682 
1 1 1 4  20 19 o 3.277268       0.5237816     2.761302       0.9177346     3.526531       0.6378747 
1 1 1 4  20 20 o 1.409606       0.4810106     0.4864385      0.7823888     1.970573       0.6098893 
1 1 1 4  20 21 o 0.4495932      0.4295233     0.1490745      0.6084852     0.7480513      0.6063957 
1 1 1 4  20 22 o 0.3853224      0.4661542     -0.6125152     0.7100338     1.141226       0.6179914 
1 1 1 4  20 23 f 0.1353533      0.4838381     1.078633       0.6774703     -0.8466561     0.6912383 
1 1 1 4  20 24 o 1.970124       0.5255563     1.944484       0.7541654     1.994331       0.7327929 
1 1 1 4  20 25 o 3.679382       0.5531175     3.964862       0.7863373     3.399796       0.7781789 
1 1 1 4  20 26 o 1.614446       0.5492542     1.418080       0.7806908     1.806908       0.7728933 
1 1 1 4  20 27 o 0.5971369      0.5434963     0.8449620      0.7852905     0.3692932      0.7529676 
1 1 1 4  21 0  o 14.82042       0.8326677     14.82042       0.5887850     ?              ?         
1 1 1 4  21 1  o 2.999057       0.5295043     2.034848       0.7560856     3.927133       0.7417835 
1 1 1 4  21 2  o 1.006294       0.5274438     0.8076510      0.7218799     1.233791       0.7725298 
1 1 1 4  21 3  o 9.438363       0.5617487     9.838886       0.7805693     9.008066       0.8090620 
1 1 1 4  21 4  f 26.97309       0.6901941     27.53160       0.9053363     26.19801       1.066512  
1 1 1 4  21 5  o 18.28017       0.6515538     18.34070       0.8546973     18.19620       1.006729  
1 1 1 4  21 6  o 9.673981       0.5711232     9.964154       0.7818357     9.341978       0.8362920 
1 1 1 4  21 7  f 8.919014       0.5679342     9.401524       0.7836156     8.385118       0.8242877 
1 1 1 4  21 8  o 3.974810       0.5368514     3.564355       0.7450765     4.417987       0.7742061 
1 1 1 4  21 9  o 5.974380       0.5424557     6.825791       0.7536889     5.059315       0.7813554 
1 1 1 4  21 10 o 2.055620       0.5096292     2.017627       0.7810615     2.083787       0.6725085 
1 1 1 4  21 11 o 1.210558       0.4946907     1.106464       0.7315373     1.298269       0.6715078 
1 1 1 4  21 12 f 0.5882406      0.4876815     -0.2231313     0.7150465     1.293911       0.6668453 
1 1 1 4  21 13 f 2.329537       0.4855392     2.885520       0.6848767     1.767738       0.6884493 
1 1 1 4  21 14 o 3.512218       0.5008771     3.286267       0.7201369     3.723956       0.6971183 
1 1 1 4  21 15 o 3.850022       0.4678641     4.610640       0.6811057     3.170467       0.6437896 
1 1 1 4  21 16 o 1.143058       0.4826961     1.120628       0.7143086     1.161908       0.6548333 
1 1 1 4  21 17 o 0.3590467E-01  0.4471900     -0.2983996     0.6771993     0.2944068      0.5954943 
1 1 1 4  21 18 o 2.014504       0.4701513     1.958495       0.7174680     2.056655       0.6224076 
1 1 1 4  21 19 o 1.602129       0.4795985     1.159884       0.7338871     1.931783       0.6336162 
1 1 1 4  21 20 o 0.4756406      0.4753698     1.687957       0.7862465     -0.2228552     0.5968052 
1 1 1 4  21 21 o -0.4041434     0.4892767     0.1147247      0.7885090     -0.7290059     0.6239187 
1 1 1 4  21 22 o 0.4947259      0.5090328     1.339715       0.8402298     0.4766804E-02  0.6398122 
1 1 1 4  21 23 o 1.520762       0.5297607     2.032862       0.7689738     1.058158       0.7308673 
1 1 1 4  21 24 o 1.979681       0.5490946     2.540644       0.7831008     1.437139       0.7701355 
1 1 1 4  21 25 o 0.5154234      0.5533055     0.3545879      0.7904630     0.6699314      0.7747577 
1 1 1 4  21 26 o 0.3081249      0.5633573     0.7419066      0.7961504     -0.1268732     0.7972659 
1 1 1 4  22 0  o 1.186706       0.7690997     1.186706       0.5438356     ?              ?         
1 1 1 4  22 1  o -0.2029640     0.5261094     -0.6796492     0.7370947     0.2920961      0.7511669 
1 1 1 4  22 2  o 0.1764302      0.5197982     -0.2135962     0.7150229     0.6135742      0.7569815 
1 1 1 4  22 3  o 0.7494721E-01  0.5230520     1.187270       0.7445110     -1.009124      0.7349954 
1 1 1 4  22 4  o 3.244251       0.5758576     3.547757       0.7538854     2.819102       0.8922626 
1 1 1 4  22 5  o 1.562060       0.5397500     1.849560       0.6968771     1.131005       0.8533044 
1 1 1 4  22 6  o 5.257967       0.5421444     5.031756       0.7648140     5.486434       0.7686160 
1 1 1 4  22 7  f 4.756613       0.5424818     4.722800       0.7562687     4.792452       0.7785885 
1 1 1 4  22 8  o 1.383219       0.5165890     0.6661444      0.7292501     2.105499       0.7318915 
1 1 1 4  22 9  o 3.227188       0.5359464     3.344636       0.7687598     3.116125       0.7475697 
1 1 1 4  22 10 f 2.634498       0.5276276     2.763943       0.7863272     2.528484       0.7116112 
1 1 1 4  22 11 o 6.586710       0.5025274     7.521092       0.7466517     5.812947       0.6794537 
1 1 1 4  22 12 o 7.405107       0.4989949     7.919618       0.7202938     6.930316       0.6919311 
1 1 1 4  22 13 o 6.153573       0.5057056     5.538622       0.7528542     6.659169       0.6826414 
1 1 1 4  22 14 o 1.462486       0.4878232     0.9140892      0.7215927     1.924076       0.6620227 
1 1 1 4  22 15 o 2.558662       0.4842577     3.490186       0.7470754     1.883641       0.6359541 
1 1 1 4  22 16 o -0.9384564E-01 0.4736459     0.9526932E-03  0.7269439     -0.1637786     0.6243691 
1 1 1 4  22 17 o -0.1622190     0.4756244     0.6460851      0.7163314     -0.7995340     0.6360682 
1 1 1 4  22 18 o 2.053173       0.4892273     0.9323592      0.7622328     2.838348       0.6379756 
1 1 1 4  22 19 o 4.082068       0.5118155     4.376912       0.7849492     3.864005       0.6750513 
1 1 1 4  22 20 o 2.858064       0.5176744     2.352297       0.8602423     3.145205       0.6481756 
1 1 1 4  22 21 o 4.298466       0.7102436     5.440742       0.9692007     2.973538       1.043817  
1 1 1 4  22 22 o 3.795758       0.5622709     3.578601       0.9066163     3.931490       0.7167666 
1 1 1 4  22 23 o 3.148576       0.5697166     3.080473       0.9133155     3.191954       0.7289179 
1 1 1 4  22 24 f 2.214705       0.5412819     2.689014       0.7607978     1.728516       0.7702664 
1 1 1 4  22 25 f 2.381828       0.5736822     2.559017       0.8315355     2.220889       0.7924904 
1 1 1 4  23 0  o 11.22435       0.8391922     11.22435       0.5933985     ?              ?         
1 1 1 4  23 1  o 515.5630       22.16913      515.5630       22.16913      ?              ?         
1 1 1 4  23 2  o 6.284128       0.5527792     7.365466       0.7657181     5.107253       0.7988284 
1 1 1 4  23 3  o 1.368373       0.5398693     0.9748191      0.7403582     1.815266       0.7889361 
1 1 1 4  23 4  o 0.3144071      0.5675564     -0.3516815E-01 0.7511327     0.7795642      0.8664553 
1 1 1 4  23 5  o 1.485967       0.5695995     0.8077359      0.7515722     2.401241       0.8730871 
1 1 1 4  23 6  o 8.452229       0.5642988     8.620621       0.7975317     8.283409       0.7985473 
1 1 1 4  23 7  o 10.14336       0.5688374     10.56827       0.8115545     9.733002       0.7975437 
1 1 1 4  23 8  o 6.551210       0.5483577     6.672623       0.7640156     6.422217       0.7875078 
1 1 1 4  23 9  o 6.642049       0.5469569     6.773386       0.7729003     6.510294       0.7741289 
1 1 1 4  23 10 o 4.338840       0.5347329     4.023202       0.7672511     4.636967       0.7456639 
1 1 1 4  23 11 o 0.5738176      0.5212165     0.2480796      0.7491677     0.8793995      0.7256191 
1 1 1 4  23 12 o 0.7248493      0.5238754     0.2465043      0.7528946     1.173814       0.7294068 
1 1 1 4  23 13 o 0.8634479      0.5008184     1.445426       0.7357959     0.3610978      0.6836084 
1 1 1 4  23 14 o 1.647648       0.5135000     0.4675147      0.7483165     2.697885       0.7059328 
1 1 1 4  23 15 o 2.401118       0.4982196     2.271303       0.7572344     2.500211       0.6615892 
1 1 1 4  23 16 o 0.2554894      0.4812358     0.5732769      0.7168359     -0.5242672E-02 0.6493048 
1 1 1 4  23 17 o 0.4383664      0.4959292     0.5554097      0.7631611     0.3528123      0.6524743 
1 1 1 4  23 18 o 0.5262325      0.5134809     0.7973008      0.7807388     0.3196047      0.6816490 
1 1 1 4  23 19 f 0.3354295      0.5164232     -0.2023910     0.8019169     0.7165172      0.6750301 
1 1 1 4  23 20 f 0.3439462      0.5154907     0.5171158      0.7850739     0.2126994      0.6834694 
1 1 1 4  23 21 o 0.6394427      0.5549986     0.7797782      0.9434655     0.5651835      0.6863059 
1 1 1 4  23 22 o 2.490221       0.5739956     2.417197       0.9337679     2.534573       0.7277245 
1 1 1 4  23 23 o 2.967447       0.6086076     3.613466       0.9633727     2.538374       0.7851231 
1 1 1 4  23 24 o 2.260463       0.6877686     3.063405       1.226057      1.891781       0.8307958 
1 1 1 4  24 0  o 3.883142       0.7557781     3.883142       0.5344158     ?              ?         
1 1 1 4  24 1  o 3.108202       0.5455252     3.359236       0.7647349     2.848099       0.7784255 
1 1 1 4  24 2  o 7.967632       0.5711884     8.778908       0.7926943     7.091508       0.8237665 
1 1 1 4  24 3  o 14.03881       0.6023724     13.48031       0.8395247     14.63145       0.8648041 
1 1 1 4  24 4  o 21.16161       0.6801131     21.06607       0.9005291     21.28846       1.037625  
1 1 1 4  24 5  o 40.56717       0.8158116     40.55781       1.095694      40.57881       1.222092  
1 1 1 4  24 6  o 21.73120       0.6582867     21.21372       0.9181640     22.27855       0.9443023 
1 1 1 4  24 7  o 14.82266       0.6023724     14.92177       0.8483486     14.72188       0.8554624 
1 1 1 4  24 8  o 4.276891       0.5617477     4.351188       0.7958455     4.203119       0.7930244 
1 1 1 4  24 9  o 0.3771403      0.5392486     0.9940566      0.7554058     -0.2638933     0.7700299 
1 1 1 4  24 10 o 0.6572989      0.5390696     0.2321924      0.7644392     1.077811       0.7602967 
1 1 1 4  24 11 o -0.1882936     0.5342689     0.8041744E-01  0.7624844     -0.4474742     0.7488408 
1 1 1 4  24 12 o 0.3767957      0.5392387     -0.5183856     0.7770677     1.208274       0.7489089 
1 1 1 4  24 13 o 0.6442895      0.5176501     0.2698207      0.7187268     1.047912       0.7461805 
1 1 1 4  24 14 o 1.794720       0.5126765     3.616769       0.7799311     0.4084278      0.6803051 
1 1 1 4  24 15 o 1.824236       0.5134422     1.542627       0.7909330     2.029342       0.6750030 
1 1 1 4  24 16 o 1.613249       0.5248557     1.918072       0.7944974     1.377213       0.6991307 
1 1 1 4  24 17 o 1.946262       0.5228763     2.779849       0.8065202     1.341867       0.6867524 
1 1 1 4  24 18 o 4.374366       0.5383770     3.848698       0.8148651     4.781590       0.7172099 
1 1 1 4  24 19 o 1.848603       0.5541559     3.597465       0.8757791     0.6808375      0.7156401 
1 1 1 4  24 20 o 0.7721260      0.5655746     1.851769       0.8741434     -0.5249424E-02 0.7417506 
1 1 1 4  24 21 o 0.3356269      0.5919452     -0.8234410     0.9335489     1.114988       0.7655121 
1 1 1 4  24 22 o -0.1290864     0.6064994     -0.3944533     0.9602148     0.4705592E-01  0.7823063 
1 1 1 4  25 0  f 9.433306       0.8738419     9.433306       0.6178995     ?              ?         
1 1 1 4  25 1  o 10.55325       0.6185121     11.35511       0.8757784     9.755297       0.8736419 
1 1 1 4  25 2  o 9.834045       0.5851279     9.858603       0.8422812     9.811138       0.8134626 
1 1 1 4  25 3  o 4.566056       0.5655355     4.736641       0.8035385     4.398620       0.7960895 
1 1 1 4  25 4  o 10.04724       0.5866736     10.43979       0.8330539     9.660972       0.8263502 
1 1 1 4  25 5  o 11.15418       0.5988201     11.57310       0.8585210     10.75726       0.8356609 
1 1 1 4  25 6  o 6.055834       0.5694572     6.511801       0.8044228     5.597795       0.8062484 
1 1 1 4  25 7  o 1.540304       0.5610344     1.185238       0.7900814     1.901440       0.7968062 
1 1 1 4  25 8  o 1.013191       0.5559242     1.262492       0.7866993     0.7645270      0.7856926 
1 1 1 4  25 9  o 1.474778       0.5627947     1.457088       0.8058488     1.491623       0.7863336 
1 1 1 4  25 10 o 1.585037       0.5579348     1.322565       0.7977551     1.836342       0.7806023 
1 1 1 4  25 11 o 1.465392       0.5650493     0.8015169      0.8006109     2.124280       0.7975983 
1 1 1 4  25 12 o 1.052312       0.5621830     0.9222231      0.8134566     1.171257       0.7778329 
1 1 1 4  25 13 o 0.9743813      0.5421146     1.505424       0.7567254     0.4144895      0.7770085 
1 1 1 4  25 14 o 2.388057       0.5654442     2.473326       0.7824011     2.294827       0.8181115 
1 1 1 4  25 15 o 2.804788       0.5554313     2.380952       0.8334827     3.143365       0.7449493 
1 1 1 4  25 16 o 1.108584       0.5441209     0.9672484      0.8256223     1.217108       0.7234640 
1 1 1 4  25 17 o 1.763035       0.5491083     2.302515       0.8464645     1.371056       0.7215260 
1 1 1 4  25 18 o 3.192892       0.5669841     3.054831       0.8601847     3.298957       0.7539499 
1 1 1 4  25 19 o 2.188320       0.5669107     2.149682       0.8859025     2.215115       0.7377444 
1 1 1 4  25 20 o 2.031260       0.5830345     3.258724       0.8976502     1.135577       0.7667961 
1 1 1 4  26 0  o 1.587734       0.7924843     1.587734       0.5603710     ?              ?         
1 1 1 4  26 1  o 3.270463       0.6004834     3.038700       0.8567958     3.494197       0.8418255 
1 1 1 4  26 2  o 8.189584       0.6156220     8.088575       0.8572610     8.297143       0.8846259 
1 1 1 4  26 3  o 15.26812       0.6388124     16.66360       0.9175699     13.95553       0.8898996 
1 1 1 4  26 4  f 9.471606       0.6222816     9.674643       0.8663907     9.255251       0.8943535 
1 1 1 4  26 5  o 4.139417       0.5864276     4.741324       0.8346525     3.552612       0.8241155 
1 1 1 4  26 6  o 4.729813       0.5914654     4.669268       0.8193794     4.795683       0.8546519 
1 1 1 4  26 7  o 3.121614       0.5650774     3.545036       0.7863078     2.669378       0.8126219 
1 1 1 4  26 8  o 0.7197410E-01  0.5686082     0.7998886      0.7909777     -0.7064650     0.8179681 
1 1 1 4  26 9  o 0.8319681      0.5592091     -0.1603134     0.7655666     1.967033       0.8187964 
1 1 1 4  26 10 o 6.017289       0.5834806     6.955304       0.8115807     5.013728       0.8394575 
1 1 1 4  26 11 o 2.096318       0.5726610     1.243392       0.7965741     3.008642       0.8238443 
1 1 1 4  26 12 o 0.4808287      0.5582723     0.4561808      0.7787192     0.5068926      0.8007752 
1 1 1 4  26 13 o 2.155077       0.5909013     1.796662       0.8388957     2.508015       0.8324627 
1 1 1 4  26 14 o 0.6668907      0.5868642     0.9553254      0.8460709     0.3994361      0.8147193 
1 1 1 4  26 15 o 1.817330       0.6337068     1.845002       0.9106891     1.791352       0.8823750 
1 1 1 4  26 16 o -0.4888842     0.5752807     -0.8004153     0.8609597     -0.2376057     0.7732320 
1 1 1 4  26 17 o -0.8715779     0.5781208     -1.208586      0.8773862     -0.6129909     0.7685533 
1 1 1 4  26 18 o 1.555266       0.5731000     2.361715       0.8768624     0.9538894      0.7572104 
1 1 1 4  27 0  o 0.2961659      0.8943151     0.2961659      0.6323763     ?              ?         
1 1 1 4  27 1  f 2.643868       0.6214994     2.900068       0.8557727     2.357928       0.9040812 
1 1 1 4  27 2  o 5.230543       0.6391688     4.823934       0.9064816     5.632591       0.9013823 
1 1 1 4  27 3  o 8.806442       0.6420548     9.687570       0.9113334     7.938079       0.9047080 
1 1 1 4  27 4  o 3.221343       0.6140372     2.563320       0.8808166     3.843470       0.8564553 
1 1 1 4  27 5  o 1.006185       0.6034873     1.672117       0.8483301     0.3238989      0.8586839 
1 1 1 4  27 6  o 0.2558174      0.5919498     0.1164709      0.8154113     0.4110768      0.8607114 
1 1 1 4  27 7  o 1.588602       0.6201801     1.496445       0.8729035     1.682539       0.8812908 
1 1 1 4  27 8  f 3.164463       0.6197833     3.254922       0.8857500     3.077684       0.8675454 
1 1 1 4  27 9  o 2.508719       0.6562616     2.488989       0.9719711     2.525249       0.8896685 
1 1 1 4  27 10 o -0.9417337E-01 0.6109895     0.4499459      0.8663118     -0.6326954     0.8618445 
1 1 1 4  27 11 o 1.484996       0.6167184     0.9288083      0.8804094     2.020844       0.8641604 
1 1 1 4  27 12 o 2.780672       0.6236737     2.379299       0.8919671     3.164606       0.8723748 
1 1 1 4  27 13 o 1.209652       0.6255707     1.754140       0.8971388     0.6943699      0.8727465 
1 1 1 4  27 14 o 3.711473       0.6310413     5.655047       0.9103542     1.913796       0.8755190 
1 1 1 4  27 15 o 1.066930       0.6258319     1.100947       0.8983181     1.034849       0.8723721 
1 1 1 4  27 16 f 0.5824931      0.6198221     0.1700947      0.8999316     0.9546705      0.8549210 
1 1 1 4  28 0  o 3.296986       0.8842005     3.296986       0.6252241     ?              ?         
1 1 1 4  28 1  o 3.280990       0.6691056     3.843162       0.9457662     2.717648       0.9467509 
1 1 1 4  28 2  o 1.083108       0.6289808     1.907731       0.8729030     0.1925914      0.9071090 
1 1 1 4  28 3  o 1.040105       0.6492299     1.172131       0.9061171     0.9008251      0.9306747 
1 1 1 4  28 4  o 1.697236       0.5849554     2.505049       0.9038225     1.114976       0.7673369 
1 1 1 4  28 5  o 2.189630       0.5932560     2.264916       0.8954724     2.130736       0.7920043 
1 1 1 4  28 6  o 0.8048717      0.6330001     1.395866       0.8813388     0.1751871      0.9097309 
1 1 1 4  28 7  o 0.7788278      0.6464382     0.6958073      0.9236641     0.8585313      0.9050244 
1 1 1 4  28 8  f 0.9866660      0.6336120     1.441942       0.9094698     0.5572806      0.8832313 
1 1 1 4  28 9  o 1.507915       0.6366115     1.558642       0.8947863     1.455918       0.9059263 
1 1 1 4  28 10 f 1.391449       0.6428205     2.493984       0.9312065     0.3877913      0.8884696 
1 1 1 4  28 11 f 1.758886       0.6377732     2.692764       0.9011908     0.8218654      0.9027059 
1 1 1 4  28 12 o 0.7866169      0.6395566     1.234118       0.9210918     0.3700214      0.8887161 
1 1 1 4  28 13 o 0.2348734      0.6394979     0.9820382      0.9214717     -0.4593376     0.8882179 
1 1 1 4  28 14 o 0.7526917      0.6510466     1.224076       0.9112422     0.2611751      0.9304975 
1 1 1 4  29 0  o 2.169376       0.9705642     2.169376       0.6862926     ?              ?         
1 1 1 4  29 1  f 0.4053061      0.6450581     0.6702444      0.9109777     0.1388826      0.9135274 
1 1 1 4  29 2  o -0.2246360     0.6899766     0.7209545      0.9776927     -1.162841      0.9738672 
1 1 1 4  29 3  o 0.8787214      0.6506630     1.065727       0.9151327     0.6875350      0.9253046 
1 1 1 4  29 4  o 2.719985       0.6389586     3.273372       0.9680904     2.292839       0.8505292 
1 1 1 4  29 5  o 4.854493       0.6481655     4.138165       0.9642173     5.445044       0.8754829 
1 1 1 4  29 6  o 1.925703       0.6590999     2.328866       0.9091302     1.479040       0.9569209 
1 1 1 4  29 7  o 0.3786305E-01  0.6662074     0.1220765      0.9546957     -0.4206789E-01 0.9301046 
1 1 1 4  29 8  o 2.217758       0.6694815     2.561602       0.9480966     1.875803       0.9454884 
1 1 1 4  29 9  o 2.826144       0.6514007     2.668302       0.9145542     2.988673       0.9280331 
1 1 1 4  29 10 o 3.393531       0.6712051     2.268102       0.9579028     4.479093       0.9407833 
1 1 1 4  30 0  o 4.947032       0.9831430     4.947032       0.6951871     ?              ?         
1 1 1 4  30 1  o 3.866656       0.7194259     3.525318       1.018196      4.206958       1.016649  
1 1 1 4  30 2  o 0.4772559      0.6950295     0.5793633      0.9785804     0.3733169      0.9873181 
1 1 1 4  30 3  o -0.5223166     0.6819360     -0.5498975E-01 0.9832832     -0.9553979     0.9465706 
1 1 1 4  30 4  o 1.661595       0.6464776     2.117445       0.9504761     1.269163       0.8818869 
1 1 1 5  0  0  o 0.5411560E-01  0.1978694     0.5411560E-01  0.1399148     ?              ?         
1 1 1 5  0  1  f 1066.292       10.63209      1066.292       7.518022      ?              ?         
1 1 1 5  0  2  o 133.4312       1.637405      133.4312       1.157820      ?              ?         
1 1 1 5  0  3  o 658.9242       6.272205      658.9242       4.435119      ?              ?         
1 1 1 5  0  4  o 299.6100       3.039090      299.6100       2.148962      ?              ?         
1 1 1 5  0  5  o 125.3618       1.382534      125.3618       0.9775993     ?              ?         
1 1 1 5  0  6  o 29.22410       0.4669242     29.22410       0.3301652     ?              ?         
1 1 1 5  0  7  o 1.243217       0.1614516     1.243217       0.1141635     ?              ?         
1 1 1 5  0  8  o 15.00189       0.3453568     15.00189       0.2442041     ?              ?         
1 1 1 5  0  9  o 24.27250       0.4801257     24.27250       0.3395001     ?              ?         
1 1 1 5  0  10 o 38.25032       0.6767716     38.25032       0.4785498     ?              ?         
1 1 1 5  0  11 o 4.259702       0.2934283     4.259702       0.2074851     ?              ?         
1 1 1 5  0  12 o 99.93460       1.495793      99.93460       1.057685      ?              ?         
1 1 1 5  0  13 o 14.27142       0.4380637     14.27142       0.3097578     ?              ?         
1 1 1 5  0  14 o 2.195347       0.3611736     2.195347       0.2553883     ?              ?         
1 1 1 5  0  15 o 195.9688       2.790509      195.9688       1.973188      ?              ?         
1 1 1 5  0  16 o 91.65569       1.501295      91.65569       1.061576      ?              ?         
1 1 1 5  0  17 o 285.5816       4.035448      285.5816       2.853493      ?              ?         
1 1 1 5  0  18 o 7.166613       0.5200163     7.166613       0.3677071     ?              ?         
1 1 1 5  0  19 f 195.7785       2.962167      195.7785       2.094568      ?              ?         
1 1 1 5  0  20 o 48.95285       1.025996      48.95285       0.7254886     ?              ?         
1 1 1 5  0  21 o 1.005280       0.5903822     1.005280       0.4174632     ?              ?         
1 1 1 5  0  22 o 6.976697       0.6438476     6.976697       0.4552690     ?              ?         
1 1 1 5  0  23 o 1.222084       0.6656579     1.222084       0.4706912     ?              ?         
1 1 1 5  0  24 f 3.303545       0.7397261     3.303545       0.5230654     ?              ?         
1 1 1 5  0  25 o 7.633970       0.7592372     7.633970       0.5368618     ?              ?         
1 1 1 5  0  26 o 5.895394       0.7315316     5.895394       0.5172710     ?              ?         
1 1 1 5  0  27 o 3.477422       0.6959343     3.477422       0.4920999     ?              ?         
1 1 1 5  0  28 o 3.664133       0.7022588     3.664133       0.4965720     ?              ?         
1 1 1 5  0  29 o 0.7118106      0.6786733     0.7118106      0.4798945     ?              ?         
1 1 1 5  0  30 o -0.1160109     0.6837636     -0.1160109     0.4834939     ?              ?         
1 1 1 5  0  31 o -0.3634095     0.7201090     -0.3634095     0.5091940     ?              ?         
1 1 1 5  0  32 f 0.3730724      0.7314364     0.3730724      0.5172036     ?              ?         
1 1 1 5  0  33 o 0.3737408      0.7620994     0.3737408      0.5388857     ?              ?         
1 1 1 5  0  34 o 0.9596675      0.7930773     0.9596675      0.5607904     ?              ?         
1 1 1 5  0  35 o 1.942486       0.7932781     1.942486       0.5609323     ?              ?         
1 1 1 5  0  36 f 0.8519087      0.8401080     0.8519087      0.5940461     ?              ?         
1 1 1 5  1  0  o 271.6286       2.945218      271.6286       2.082584      ?              ?         
1 1 1 5  1  1  o 17.04141       0.2409009     18.17150       0.3451419     15.96787       0.3363969 
1 1 1 5  1  2  o 47.32283       0.4971434     47.38263       0.6869366     47.25706       0.7203895 
1 1 1 5  1  3  o 72.34789       0.6685833     71.37879       0.9404638     73.33812       0.9506579 
1 1 1 5  1  4  o 111.3471       0.9495267     111.1128       1.312986      111.6040       1.374814  
1 1 1 5  1  5  o 66.63442       0.6733125     63.91315       0.8870239     70.33406       1.034258  
1 1 1 5  1  6  f 71.96553       0.7040156     70.45420       0.9359173     73.93520       1.068451  
1 1 1 5  1  7  o 5.913199       0.1681505     6.244464       0.2043614     5.218827       0.2958741 
1 1 1 5  1  8  o 2.086529       0.1391294     2.353786       0.1797574     1.687223       0.2197226 
1 1 1 5  1  9  o 56.96972       0.6399272     56.79023       0.8979822     57.15491       0.9121721 
1 1 1 5  1  10 o 20.51827       0.3224753     21.63292       0.4607229     19.44773       0.4515145 
1 1 1 5  1  11 o 14.35252       0.2853418     15.48158       0.4072452     13.26371       0.3999229 
1 1 1 5  1  12 o 358.2892       3.125846      357.4204       4.418054      359.1600       4.423179  
1 1 1 5  1  13 o 81.36121       0.9164684     82.07222       1.295974      80.64997       1.296190  
1 1 1 5  1  14 o 3.299776       0.2553531     3.139206       0.3582690     3.465568       0.3640479 
1 1 1 5  1  15 o 29.54180       0.4723534     29.64310       0.6618077     29.43662       0.6743872 
1 1 1 5  1  16 o 101.3614       1.154407      102.4552       1.636625      100.2783       1.628562  
1 1 1 5  1  17 o 19.55416       0.4195083     20.48342       0.5932130     18.62451       0.5933356 
1 1 1 5  1  18 f 9.269961       0.3714666     9.177667       0.5281528     9.360312       0.5225582 
1 1 1 5  1  19 o 15.50912       0.4452503     14.41533       0.6265217     16.62523       0.6328846 
1 1 1 5  1  20 f 53.02473       0.7667375     52.85735       1.081155      53.19410       1.087534  
1 1 1 5  1  21 o 1.747786       0.4206477     1.657685       0.5851264     1.844158       0.6051501 
1 1 1 5  1  22 o 7.046076       0.4804652     6.862374       0.6741909     7.235658       0.6848966 
1 1 1 5  1  23 o 40.43398       0.7196441     39.65880       1.012280      41.22609       1.023270  
1 1 1 5  1  24 f 0.5326556      0.5067855     0.6320981      0.7121011     0.4306004      0.7213951 
1 1 1 5  1  25 o 2.204375       0.5058165     1.843340       0.7156184     2.564834       0.7150470 
1 1 1 5  1  26 f 3.870319       0.5128599     3.724552       0.7448002     4.001755       0.7072431 
1 1 1 5  1  27 o 1.613304       0.4993261     1.167726       0.7358287     1.993612       0.6798018 
1 1 1 5  1  28 o 0.7604173      0.4715174     0.7739545      0.6680892     0.7469819      0.6655704 
1 1 1 5  1  29 o 1.205456       0.4794009     2.023266       0.6770892     0.3833511      0.6788649 
1 1 1 5  1  30 f 3.628397       0.4983526     3.824566       0.7034149     3.430700       0.7061472 
1 1 1 5  1  31 o -0.4258920     0.5707695     -0.5091190E-01 0.8704149     -0.7087723     0.7560030 
1 1 1 5  1  32 o 0.4856124      0.5201190     0.1431194      0.7434700     0.8139068      0.7278960 
1 1 1 5  1  33 f 0.4573328      0.5438220     0.1199099      0.7752080     0.7842941      0.7630959 
1 1 1 5  1  34 f 0.2741839      0.5532714     -0.5080030     0.7757826     1.083824       0.7892796 
1 1 1 5  1  35 o -0.4248987     0.5764685     -0.5190561     0.8135851     -0.3299668     0.8169244 
1 1 1 5  1  36 o -0.8922247E-01 0.5770179     0.2304588      0.8116284     -0.4159281     0.8204969 
1 1 1 5  2  0  o 862.4825       8.001507      862.4825       5.657920      ?              ?         
1 1 1 5  2  1  o 66.13497       0.6445982     67.14690       0.9172429     65.14757       0.9060589 
1 1 1 5  2  2  o 273.7578       2.042816      275.7303       2.895552      271.8032       2.882448  
1 1 1 5  2  3  o 384.3189       2.754420      385.1438       3.914301      383.5099       3.876647  
1 1 1 5  2  4  f 102.5531       0.9213949     103.3450       1.287029      101.7206       1.319683  
1 1 1 5  2  5  o 79.45120       0.8018382     78.71669       1.085138      80.33462       1.190051  
1 1 1 5  2  6  o 169.0591       1.797106      166.3104       2.536668      171.8289       2.546344  
1 1 1 5  2  7  o 42.41758       0.6005456     42.46746       0.8501881     42.36791       0.8484142 
1 1 1 5  2  8  o 378.7289       3.116076      368.9027       4.156318      391.3411       4.708808  
1 1 1 5  2  9  o 186.3294       1.696954      182.5796       2.319538      190.6476       2.489139  
1 1 1 5  2  10 o 161.9879       1.549908      160.8146       2.169977      163.2098       2.214504  
1 1 1 5  2  11 o 135.4735       1.351282      134.8331       1.905336      136.1216       1.916717  
1 1 1 5  2  12 o 147.0533       1.479037      145.5095       2.084326      148.6190       2.099100  
1 1 1 5  2  13 o 109.9085       1.179015      111.6389       1.680689      108.2318       1.654380  
1 1 1 5  2  14 o 18.19746       0.3624122     18.31656       0.5102364     18.07620       0.5148512 
1 1 1 5  2  15 f 133.2106       1.425457      135.3152       2.020300      131.1241       2.011530  
1 1 1 5  2  16 o 185.0622       1.911288      183.6579       2.692463      186.4887       2.713599  
1 1 1 5  2  17 o 42.87300       0.6151135     42.91257       0.8680590     42.83310       0.8717565 
1 1 1 5  2  18 o 32.27678       0.5436560     33.67243       0.7707937     30.89514       0.7669123 
1 1 1 5  2  19 o 43.12295       0.6586017     43.85025       0.9311706     42.39493       0.9316365 
1 1 1 5  2  20 o 5.487345       0.4059823     5.253683       0.5666928     5.733716       0.5819005 
1 1 1 5  2  21 o 11.79768       0.4683787     12.66869       0.6610222     10.91943       0.6637612 
1 1 1 5  2  22 o 31.66807       0.6279832     31.51012       0.8813959     31.83091       0.8949641 
1 1 1 5  2  23 o 0.9204937      0.4848356     0.2116487E-01  0.6744460     1.882231       0.6974548 
1 1 1 5  2  24 f 3.279680       0.5302216     4.157173       0.7563772     2.431851       0.7434824 
1 1 1 5  2  25 o 14.45061       0.5541030     14.88430       0.7709627     13.98723       0.7969219 
1 1 1 5  2  26 o 24.34759       0.6039889     24.23569       0.8527104     24.46026       0.8556356 
1 1 1 5  2  27 o 2.334425       0.4761040     2.000313       0.6659909     2.683645       0.6808814 
1 1 1 5  2  28 o 1.294793       0.4702355     0.7524120      0.6665080     1.832337       0.6635288 
1 1 1 5  2  29 o 0.8687901      0.4690847     1.221883       0.6678416     0.5249650      0.6590185 
1 1 1 5  2  30 o 0.1202689      0.4787026     0.1000415      0.6766690     0.1405345      0.6773070 
1 1 1 5  2  31 o 0.3005833      0.4918086     0.3042185      0.6937358     0.2969105      0.6973230 
1 1 1 5  2  32 o 0.4191628      0.5094149     1.419388       0.7211965     -0.5767744     0.7196490 
1 1 1 5  2  33 o 0.3655099      0.5329627     1.036492       0.7476960     -0.3275521     0.7598982 
1 1 1 5  2  34 f 0.5983253      0.5714024     0.9217885      0.8048788     0.2696562      0.8113298 
1 1 1 5  2  35 o 0.3778989      0.5805942     -0.5978131     0.8144578     1.386023       0.8278751 
1 1 1 5  2  36 o 1.418394       0.5985171     1.895487       0.8389637     0.9239297      0.8541013 
1 1 1 5  3  0  o 103.6593       1.277277      103.6593       0.9031715     ?              ?         
1 1 1 5  3  1  o 55.81980       0.5543344     55.40887       0.8018944     56.19590       0.7671537 
1 1 1 5  3  2  o 19.32386       0.2530681     18.72055       0.3639016     19.88890       0.3521712 
1 1 1 5  3  3  o 577.8014       3.992348      585.3033       5.654828      570.3460       5.637279  
1 1 1 5  3  4  o 138.1946       1.222556      140.8377       1.819047      136.0171       1.651047  
1 1 1 5  3  5  o 31.41815       0.3891857     30.85495       0.5499052     31.98334       0.5508795 
1 1 1 5  3  6  f 277.5222       2.230249      273.1470       3.196357      281.6732       3.113376  
1 1 1 5  3  7  o 32.49737       0.4329063     31.41644       0.5664995     34.01463       0.6711668 
1 1 1 5  3  8  o 167.7882       1.492153      166.6721       2.036967      169.0806       2.191997  
1 1 1 5  3  9  o 16.50837       0.2632936     16.97072       0.3586719     15.96807       0.3877301 
1 1 1 5  3  10 o 21.81752       0.3252753     23.29232       0.4488794     20.18681       0.4720092 
1 1 1 5  3  11 o 27.84865       0.4090043     27.75092       0.5777142     27.94687       0.5791271 
1 1 1 5  3  12 o 140.6443       1.431991      142.4710       2.028249      138.8287       2.022047  
1 1 1 5  3  13 o 192.3844       1.900551      191.0546       2.655998      193.7798       2.720742  
1 1 1 5  3  14 o 172.8289       1.770305      173.8635       2.491862      171.7745       2.515485  
1 1 1 5  3  15 o 17.42735       0.3767973     18.45930       0.5335207     16.40040       0.5322254 
1 1 1 5  3  16 f 12.46500       0.3531128     12.26185       0.4937080     12.67775       0.5052457 
1 1 1 5  3  17 o 29.04936       0.5021575     29.01595       0.7141445     29.08203       0.7062375 
1 1 1 5  3  18 f 14.65157       0.4161756     14.07702       0.5868231     15.23299       0.5903149 
1 1 1 5  3  19 o 30.12910       0.5478719     30.14091       0.7760870     30.11736       0.7735350 
1 1 1 5  3  20 o 19.64295       0.4893668     19.70030       0.6873807     19.58400       0.6968548 
1 1 1 5  3  21 o 30.18728       0.5932956     30.91980       0.8365892     29.44609       0.8415260 
1 1 1 5  3  22 o 18.17031       0.5309607     18.40747       0.7458538     17.92664       0.7560336 
1 1 1 5  3  23 o 0.5054036      0.4701268     1.072969       0.6495098     -0.1191756     0.6813520 
1 1 1 5  3  24 o 8.000697       0.5044637     7.962183       0.7036756     8.041422       0.7235796 
1 1 1 5  3  25 o 0.2727910      0.4898926     1.018802       0.6838682     -0.5135674     0.7021178 
1 1 1 5  3  26 f 1.395960       0.4836274     0.5078031      0.6886063     2.260507       0.6793917 
1 1 1 5  3  27 o 4.765023       0.4819647     4.160695       0.6679521     5.421399       0.6961223 
1 1 1 5  3  28 o 2.725878       0.4688186     1.897571       0.6617085     3.560731       0.6643186 
1 1 1 5  3  29 o 4.979902       0.4871538     4.933706       0.6748078     5.030180       0.7039979 
1 1 1 5  3  30 o 1.240943       0.4866555     0.9678560      0.6833760     1.521936       0.6931987 
1 1 1 5  3  31 o 0.3102440      0.4909719     0.9189514      0.6868299     -0.3258310     0.7021001 
1 1 1 5  3  32 o 1.196517       0.5260646     1.807361       0.7411222     0.5762007      0.7468461 
1 1 1 5  3  33 o -0.5680528     0.5274305     -0.5995696     0.7562435     -0.5382033     0.7359685 
1 1 1 5  3  34 o -0.1461317     0.5571769     0.1310719      0.7981799     -0.4095883     0.7781367 
1 1 1 5  3  35 o 0.1644306      0.5829636     -0.3883896     0.8219444     0.7240023      0.8269483 
1 1 1 5  3  36 o 0.2045882      0.5943086     -0.7046078     0.8320209     1.151719       0.8492010 
1 1 1 5  4  0  o 168.8251       1.952227      168.8251       1.380433      ?              ?         
1 1 1 5  4  1  o 101.3007       0.9190887     100.2079       1.295771      102.4071       1.303842  
1 1 1 5  4  2  o 171.9239       1.385001      175.0049       1.972029      168.9248       1.945614  
1 1 1 5  4  3  o 187.9730       1.544073      185.8291       2.231823      189.9412       2.138465  
1 1 1 5  4  4  o 122.5644       1.149392      125.0332       1.704771      120.5068       1.556326  
1 1 1 5  4  5  o 205.8054       1.753046      207.6701       2.570910      204.1849       2.396620  
1 1 1 5  4  6  o 358.0946       2.886150      355.6005       4.071824      360.6128       4.091513  
1 1 1 5  4  7  o 69.75208       0.7206627     70.27156       1.064598      69.31268       0.9791030 
1 1 1 5  4  8  f 97.54452       0.9603217     96.50928       1.411980      98.43555       1.309952  
1 1 1 5  4  9  o 49.27118       0.5655175     46.93494       0.7672784     52.04968       0.8367556 
1 1 1 5  4  10 o 5.601637       0.1958752     5.359906       0.2591974     5.923487       0.2990830 
1 1 1 5  4  11 o 141.1178       1.363375      144.0732       1.899328      137.9762       1.958228  
1 1 1 5  4  12 o 64.56938       0.7327525     63.44021       1.002056      65.86710       1.074244  
1 1 1 5  4  13 o 37.95969       0.5331330     36.61271       0.7503418     39.33300       0.7576391 
1 1 1 5  4  14 o 92.08018       1.042715      91.62904       1.477797      92.52747       1.471466  
1 1 1 5  4  15 o 213.5835       2.161961      213.0617       3.059153      214.1041       3.055800  
1 1 1 5  4  16 o 63.90301       0.8009592     64.22136       1.132868      63.58483       1.132586  
1 1 1 5  4  17 f 21.92010       0.4540215     22.28281       0.6423727     21.55805       0.6417944 
1 1 1 5  4  18 f 48.81867       0.7052974     47.97670       0.9971796     49.66152       0.9977027 
1 1 1 5  4  19 f 35.51294       0.6015223     35.99052       0.8518822     35.03804       0.8494848 
1 1 1 5  4  20 o 20.83863       0.5043267     20.14902       0.7084344     21.54722       0.7181154 
1 1 1 5  4  21 o 19.98951       0.5337237     21.61915       0.7617223     18.41780       0.7480618 
1 1 1 5  4  22 f 9.228568       0.4895877     9.791381       0.6809265     8.626222       0.7044349 
1 1 1 5  4  23 o 7.093468       0.5068071     7.600272       0.6957154     6.520432       0.7397792 
1 1 1 5  4  24 f 4.936418       0.4963975     5.358306       0.6917824     4.488619       0.7127094 
1 1 1 5  4  25 o 8.369288       0.5222845     7.791721       0.7407190     8.940361       0.7365424 
1 1 1 5  4  26 o 7.706987       0.4900951     8.119739       0.6878424     7.281372       0.6984783 
1 1 1 5  4  27 f 0.6858691      0.4517309     0.5181597      0.6319643     0.8610854      0.6459533 
1 1 1 5  4  28 o 1.286713       0.4520413     1.167334       0.6353337     1.409106       0.6433069 
1 1 1 5  4  29 o 0.4928870      0.4656085     0.4913498      0.6490448     0.4945169      0.6683179 
1 1 1 5  4  30 o 1.190350       0.4793980     0.3188582      0.6681978     2.114762       0.6881865 
1 1 1 5  4  31 o 2.816494       0.5046076     1.762310       0.7072206     3.909735       0.7202024 
1 1 1 5  4  32 o 0.9399104      0.5131711     1.287712       0.7242760     0.5892946      0.7272000 
1 1 1 5  4  33 o 0.5757098      0.5388255     0.7551509      0.7432023     0.3768764      0.7823313 
1 1 1 5  4  34 o 2.326146       0.5564467     2.655016       0.7796957     1.984772       0.7943788 
1 1 1 5  4  35 o -0.7746099     0.5805471     -0.9562085     0.8094807     -0.5822766     0.8330623 
1 1 1 5  4  36 o 0.1420411      0.5774154     0.9220016      0.8012562     -0.7006128     0.8328365 
1 1 1 5  5  0  o 268.0479       3.017319      268.0479       2.133567      ?              ?         
1 1 1 5  5  1  f 236.1644       1.872423      236.6100       2.655843      235.7240       2.640238  
1 1 1 5  5  2  f 78.35177       0.7480220     78.93999       1.062206      77.77308       1.053573  
1 1 1 5  5  3  o 191.3571       1.575798      192.6947       2.233456      190.0312       2.223608  
1 1 1 5  5  4  o 183.7809       1.606752      178.8649       2.373653      187.9386       2.182894  
1 1 1 5  5  5  o 173.1876       1.610776      170.7573       2.319380      175.4519       2.238724  
1 1 1 5  5  6  o 137.6873       1.353583      138.0234       1.922364      137.3569       1.906248  
1 1 1 5  5  7  o 12.73638       0.2519906     13.02504       0.3766012     12.50237       0.3390815 
1 1 1 5  5  8  o 4.321175       0.1922799     4.552380       0.2972369     4.154801       0.2521430 
1 1 1 5  5  9  o 53.56421       0.5942790     53.67783       0.8413250     53.45107       0.8395526 
1 1 1 5  5  10 o 72.72210       0.7849997     73.72112       1.080823      71.60675       1.142017  
1 1 1 5  5  11 o 80.83458       0.8751968     80.20830       1.195169      81.55872       1.285155  
1 1 1 5  5  12 o 287.6868       2.553199      286.6150       3.542116      288.8459       3.683574  
1 1 1 5  5  13 o 107.3998       1.135136      108.9929       1.563536      105.6242       1.650653  
1 1 1 5  5  14 o 14.66004       0.3340043     13.54898       0.4422969     16.13443       0.5095087 
1 1 1 5  5  15 o 67.80787       0.8304257     67.25773       1.171603      68.36330       1.177216  
1 1 1 5  5  16 o 8.893970       0.3457912     7.774340       0.4871653     10.03084       0.4909014 
1 1 1 5  5  17 o 69.66047       0.8871633     69.89086       1.261968      69.43536       1.247435  
1 1 1 5  5  18 o 49.95367       0.7170604     49.22410       1.013279      50.68553       1.014876  
1 1 1 5  5  19 o 39.03297       0.6361648     39.63403       0.9078813     38.45317       0.8916833 
1 1 1 5  5  20 o 56.54171       0.8142161     58.49913       1.171663      54.71362       1.132297  
1 1 1 5  5  21 f 3.758101       0.4382333     3.567038       0.6069151     3.966235       0.6334468 
1 1 1 5  5  22 o 7.954145       0.4908157     8.155051       0.6809515     7.736913       0.7080795 
1 1 1 5  5  23 o 8.493937       0.5014567     7.392126       0.6953401     9.687963       0.7238528 
1 1 1 5  5  24 o 2.974444       0.4905196     2.720622       0.6758376     3.256993       0.7130567 
1 1 1 5  5  25 o 15.88192       0.5507443     15.15710       0.7668065     16.65422       0.7915214 
1 1 1 5  5  26 f 3.041713       0.4852219     1.993434       0.6777934     4.143709       0.6949428 
1 1 1 5  5  27 o 11.83771       0.5167621     12.25691       0.7287848     11.41381       0.7328562 
1 1 1 5  5  28 o 5.361053       0.4820738     5.648331       0.6706712     5.053967       0.6934078 
1 1 1 5  5  29 o 0.7245196      0.4769280     0.5767785      0.6646580     0.8813263      0.6847466 
1 1 1 5  5  30 o 1.802266       0.4885544     1.875934       0.6716959     1.719517       0.7118956 
1 1 1 5  5  31 o 0.4339684      0.4942655     0.4494911      0.6871321     0.4173253      0.7114984 
1 1 1 5  5  32 o -0.1856426E-01 0.5146989     0.8267048      0.7150524     -0.9274039     0.7414536 
1 1 1 5  5  33 o 0.5896272      0.5375031     0.8420807      0.7333577     0.2965975      0.7900980 
1 1 1 5  5  34 o 0.1894563      0.5402899     0.5027573      0.7575766     -0.1348476     0.7707647 
1 1 1 5  5  35 o -0.2583881E-01 0.6192597     -0.1045406     0.8035336     0.8927428E-01  0.9717937 
1 1 1 5  5  36 o 0.8021339      0.5979044     -0.1050120     0.8357170     1.753333       0.8557686 
1 1 1 5  6  0  o 64.60915       0.9329160     64.60915       0.6596712     ?              ?         
1 1 1 5  6  1  o 14.32844       0.2461166     15.06515       0.3477661     13.58921       0.3483576 
1 1 1 5  6  2  o 117.4871       1.085161      115.8376       1.522779      119.1890       1.546802  
1 1 1 5  6  3  o 284.9561       2.328259      281.7596       3.383268      287.8318       3.208953  
1 1 1 5  6  4  f 51.51324       0.5662894     52.84366       0.8300797     50.35498       0.7745131 
1 1 1 5  6  5  o 31.70360       0.4260253     32.67471       0.6271792     30.87165       0.5805058 
1 1 1 5  6  6  o 26.22540       0.3838338     28.85548       0.5715883     24.06533       0.5180047 
1 1 1 5  6  7  o 20.90197       0.3254389     21.95644       0.5005357     20.12977       0.4283335 
1 1 1 5  6  8  o 68.21224       0.7527018     69.95155       1.118961      66.77474       1.017255  
1 1 1 5  6  9  o 49.37891       0.5950185     48.86861       0.8779747     49.81239       0.8091937 
1 1 1 5  6  10 f 57.83229       0.6533779     57.34074       0.9267731     58.31802       0.9212831 
1 1 1 5  6  11 o 23.27580       0.3799276     23.30267       0.5184098     23.24463       0.5584154 
1 1 1 5  6  12 o 18.29746       0.3469810     18.20788       0.4752457     18.39974       0.5077789 
1 1 1 5  6  13 o 122.8614       1.275418      121.7172       1.749215      124.1601       1.863646  
1 1 1 5  6  14 o 161.9449       1.730263      161.4580       2.237502      162.6693       2.728956  
1 1 1 5  6  15 o 39.52087       0.5623491     39.62721       0.7643257     39.39537       0.8303318 
1 1 1 5  6  16 o 121.9199       1.318116      120.8451       1.801902      123.1571       1.933213  
1 1 1 5  6  17 o 11.80351       0.3759830     12.42525       0.5086371     11.05453       0.5582613 
1 1 1 5  6  18 o 12.03107       0.4251769     11.70389       0.6039894     12.35247       0.5986284 
1 1 1 5  6  19 o 27.24777       0.5493311     27.47447       0.7793057     27.02388       0.7744600 
1 1 1 5  6  20 o 12.42762       0.4702612     12.62199       0.6749402     12.24425       0.6555820 
1 1 1 5  6  21 o 5.450647       0.4586998     4.977586       0.6391956     5.952928       0.6586402 
1 1 1 5  6  22 o 16.54214       0.5466337     16.39038       0.7732098     16.69378       0.7729037 
1 1 1 5  6  23 o 8.109442       0.5204281     8.278979       0.7411564     7.944544       0.7309427 
1 1 1 5  6  24 o 3.324312       0.4901708     2.634586       0.6868489     4.040179       0.6997435 
1 1 1 5  6  25 o 0.5020296      0.4701266     0.5878082      0.6556806     0.4112739      0.6744348 
1 1 1 5  6  26 f 2.554427       0.4662520     1.418380       0.6443101     3.803343       0.6755592 
1 1 1 5  6  27 o 0.6824041      0.4621279     0.8680797      0.6388666     0.4786239      0.6692894 
1 1 1 5  6  28 o 1.230667       0.4654216     1.358895       0.6567627     1.101306       0.6596581 
1 1 1 5  6  29 o 3.374108       0.4776283     3.528836       0.6612958     3.205365       0.6905932 
1 1 1 5  6  30 o 0.3450077      0.4826888     0.4990222      0.6580714     0.1656522      0.7101493 
1 1 1 5  6  31 o 2.988228       0.5089737     3.751954       0.7166570     2.210966       0.7229795 
1 1 1 5  6  32 o 0.7634364      0.5101600     0.8189659      0.7127494     0.7051018      0.7305295 
1 1 1 5  6  33 o 0.8957728      0.5369532     0.6980040      0.7388684     1.117119       0.7816712 
1 1 1 5  6  34 o 0.8392617      0.5492013     0.6703484E-02  0.7407125     1.855798       0.8184721 
1 1 1 5  6  35 o 1.584702       0.5765582     2.018636       0.7982154     1.111336       0.8336942 
1 1 1 5  7  0  o 318.7168       3.566095      318.7168       2.521610      ?              ?         
1 1 1 5  7  1  o 92.60389       0.8998882     89.97465       1.260627      95.33575       1.284991  
1 1 1 5  7  2  o 190.9279       1.659141      191.6275       2.342679      190.2239       2.350100  
1 1 1 5  7  3  o 5.582048       0.2186376     5.818732       0.3233192     5.382622       0.2967829 
1 1 1 5  7  4  o 77.65550       0.7989446     75.18845       1.153216      79.93248       1.107903  
1 1 1 5  7  5  o 310.1198       2.618317      306.5609       3.701726      313.6831       3.703994  
1 1 1 5  7  6  o 58.20499       0.6775873     58.96180       0.9879947     57.53292       0.9310453 
1 1 1 5  7  7  o 138.0003       1.332397      141.4561       2.013676      135.3090       1.777024  
1 1 1 5  7  8  o 70.55560       0.7664140     69.65858       1.152223      71.26742       1.026402  
1 1 1 5  7  9  o 32.24418       0.4446825     33.71885       0.6866511     31.17895       0.5835947 
1 1 1 5  7  10 o 45.68974       0.5653743     46.07592       0.8643866     45.40099       0.7474253 
1 1 1 5  7  11 o 256.4839       2.292388      250.9260       3.232792      262.1051       3.251139  
1 1 1 5  7  12 o 43.23237       0.5734805     43.68686       0.7847900     42.71160       0.8400777 
1 1 1 5  7  13 o 451.6769       3.928574      444.3676       5.414791      459.8008       5.708526  
1 1 1 5  7  14 o 18.16906       0.3848308     18.03317       0.5175862     18.33704       0.5754700 
1 1 1 5  7  15 o 22.55378       0.4350922     22.96639       0.5885996     22.05673       0.6460290 
1 1 1 5  7  16 o 107.8219       1.197822      108.5665       1.643733      106.9788       1.749126  
1 1 1 5  7  17 o 6.279309       0.3588245     7.198288       0.4825697     5.142880       0.5366341 
1 1 1 5  7  18 f 12.29141       0.4115253     12.05952       0.5560075     12.57234       0.6119800 
1 1 1 5  7  19 o 19.85056       0.4797269     20.71448       0.6528496     18.83656       0.7072881 
1 1 1 5  7  20 o 26.48559       0.5507079     27.15940       0.7521872     25.70713       0.8084949 
1 1 1 5  7  21 o 3.290523       0.4417040     3.878153       0.5942688     2.565146       0.6602569 
1 1 1 5  7  22 o 4.018245       0.4980032     4.596942       0.7005928     3.427192       0.7080319 
1 1 1 5  7  23 o 11.29882       0.5331846     11.61723       0.7485908     10.97097       0.7596037 
1 1 1 5  7  24 o 6.136818       0.4975533     5.753222       0.6936179     6.543431       0.7141232 
1 1 1 5  7  25 f 1.295984       0.4670816     1.269510       0.6439071     1.325384       0.6785606 
1 1 1 5  7  26 f 1.201185       0.4613767     1.497014       0.6410387     0.8832421      0.6645674 
1 1 1 5  7  27 o 5.738730       0.4803568     6.105151       0.6703172     5.351925       0.6887103 
1 1 1 5  7  28 o 3.891625       0.4792943     3.817161       0.6696584     3.969835       0.6862968 
1 1 1 5  7  29 o -0.8841376E-02 0.4781876     0.6423278E-01  0.6714895     -0.8402936E-01 0.6811324 
1 1 1 5  7  30 o 0.5002691      0.4876935     0.2732031      0.6971388     0.7178988      0.6824996 
1 1 1 5  7  31 o 1.304031       0.4937189     0.9867440E-01  0.6894540     2.572728       0.7073374 
1 1 1 5  7  32 o 0.4132200      0.5175700     0.9087785      0.7220434     -0.1105132     0.7422853 
1 1 1 5  7  33 o -0.4513845     0.5428725     -0.2233815     0.7575019     -0.6921414     0.7783999 
1 1 1 5  7  34 o -0.5437044     0.5685262     0.5496531E-01  0.7828175     -1.211922      0.8270387 
1 1 1 5  7  35 o 0.1691418      0.5765842     0.8386081E-01  0.8024170     0.2601804      0.8290622 
1 1 1 5  8  0  o 470.5708       5.089869      470.5708       3.599081      ?              ?         
1 1 1 5  8  1  o 499.6810       3.784920      507.2035       5.368707      492.2476       5.336805  
1 1 1 5  8  2  o 142.7462       1.361478      146.5335       1.994111      139.4392       1.863372  
1 1 1 5  8  3  o 30.53610       0.4178287     31.50744       0.6155865     29.70633       0.5689619 
1 1 1 5  8  4  o 96.91487       0.9758380     97.77769       1.418916      96.14053       1.344200  
1 1 1 5  8  5  o 39.76153       0.5129893     40.58794       0.7280644     38.94677       0.7229158 
1 1 1 5  8  6  o 33.21104       0.4571688     31.72436       0.6396093     34.76388       0.6536890 
1 1 1 5  8  7  o 27.77285       0.3985493     26.07816       0.5767269     29.32193       0.5513939 
1 1 1 5  8  8  o 93.45295       0.9878495     94.39342       1.493306      92.72116       1.317258  
1 1 1 5  8  9  o 199.2823       1.888293      199.3340       2.854106      199.2420       2.518222  
1 1 1 5  8  10 o 177.1446       1.700070      172.7327       2.545734      180.6960       2.284024  
1 1 1 5  8  11 o 220.1972       2.014283      220.9497       2.918645      219.5128       2.783416  
1 1 1 5  8  12 o 10.92884       0.3069626     10.72101       0.4445300     11.11827       0.4243912 
1 1 1 5  8  13 o 260.7454       2.454609      261.9427       3.389237      259.4246       3.559717  
1 1 1 5  8  14 o 375.0869       3.446449      371.9688       4.725483      378.6305       5.037496  
1 1 1 5  8  15 o 94.98389       1.082880      95.72626       1.489579      94.15180       1.577005  
1 1 1 5  8  16 o 6.708246       0.3544450     6.437254       0.4794328     7.034896       0.5263705 
1 1 1 5  8  17 o 5.941029       0.3625859     5.556598       0.4809845     6.447054       0.5518335 
1 1 1 5  8  18 o 69.58698       0.8956530     70.77725       1.230599      68.24628       1.306055  
1 1 1 5  8  19 f 23.86428       0.5204936     23.52012       0.7024806     24.28319       0.7750342 
1 1 1 5  8  20 o 3.543588       0.4211239     3.383291       0.5620298     3.748796       0.6359072 
1 1 1 5  8  21 o 6.380736       0.4529684     6.886661       0.6030395     5.725712       0.6861698 
1 1 1 5  8  22 o 10.85592       0.4885692     11.35127       0.6585760     10.24963       0.7286009 
1 1 1 5  8  23 o 8.771948       0.4763158     9.502656       0.6341304     7.825953       0.7215249 
1 1 1 5  8  24 o 14.43199       0.5127015     14.55040       0.7025399     14.29708       0.7499154 
1 1 1 5  8  25 o 9.249965       0.4943111     9.368162       0.6832540     9.120160       0.7160195 
1 1 1 5  8  26 o 10.77670       0.5084532     10.40963       0.7138219     11.15476       0.7244181 
1 1 1 5  8  27 o 1.342118       0.4590115     1.369921       0.6453941     1.313660       0.6529526 
1 1 1 5  8  28 o 1.610676       0.4711969     1.347712       0.6606266     1.882993       0.6722722 
1 1 1 5  8  29 f 2.526893       0.4822984     2.435748       0.6736410     2.622748       0.6908298 
1 1 1 5  8  30 o 0.5307851      0.4911643     0.7803782E-01  0.6759487     1.037229       0.7149100 
1 1 1 5  8  31 o 10.15754       0.8997617     24.68701       2.721231      8.374110       0.9533846 
1 1 1 5  8  32 o -0.8112561     0.5152118     -0.9917924     0.7009933     -0.5991628     0.7597926 
1 1 1 5  8  33 o 0.7973693E-01  0.5471863     -0.4514691     0.7519973     0.6774732      0.7977000 
1 1 1 5  8  34 o 0.2972960      0.5678015     -0.2255246     0.7793252     0.8888281      0.8289561 
1 1 1 5  8  35 o -0.1775946     0.5794767     -0.6054565     0.8030326     0.2872645      0.8370320 
1 1 1 5  9  0  o 330.9583       3.819665      330.9583       2.700911      ?              ?         
1 1 1 5  9  1  o 173.1724       1.611572      170.3543       2.324381      175.7812       2.236379  
1 1 1 5  9  2  o 151.1149       1.435564      151.8972       2.100935      150.4297       1.966148  
1 1 1 5  9  3  f 4.263334       0.2498809     5.144985       0.3732724     3.547383       0.3363714 
1 1 1 5  9  4  o 229.3392       2.087790      224.7897       2.994253      233.6439       2.912601  
1 1 1 5  9  5  f 173.8786       1.666264      170.4653       2.333886      177.4271       2.379688  
1 1 1 5  9  6  o 171.4944       1.668071      171.4171       2.352708      171.5726       2.365360  
1 1 1 5  9  7  o 71.34837       0.7805307     72.73902       1.144808      70.14039       1.066972  
1 1 1 5  9  8  o 97.68705       1.005888      97.13680       1.468002      98.17404       1.381057  
1 1 1 5  9  9  o 71.84576       0.8142341     72.69718       1.235241      71.19157       1.082767  
1 1 1 5  9  10 o 34.46700       0.5019166     34.21169       0.7686437     34.65679       0.6627128 
1 1 1 5  9  11 o 96.14230       1.104361      96.03787       1.810502      96.20419       1.393654  
1 1 1 5  9  12 o 118.8764       1.206260      118.1893       1.753397      119.4939       1.662081  
1 1 1 5  9  13 o 194.3468       1.843407      191.6621       2.656492      196.8403       2.560120  
1 1 1 5  9  14 o 175.5503       1.756051      179.3260       2.496891      171.8549       2.470186  
1 1 1 5  9  15 f 113.4325       1.227643      116.7321       1.745028      110.1991       1.727405  
1 1 1 5  9  16 o 31.06623       0.5497522     32.00943       0.7548424     30.00081       0.8022560 
1 1 1 5  9  17 o 104.1288       1.204725      104.8876       1.653336      103.2699       1.759050  
1 1 1 5  9  18 o 90.12323       1.089354      89.57648       1.490850      90.74954       1.595643  
1 1 1 5  9  19 o 18.59153       0.4981864     18.03249       0.6664358     19.29962       0.7500339 
1 1 1 5  9  20 f 28.76357       0.6037914     29.00352       0.8213474     28.48143       0.8906350 
1 1 1 5  9  21 o 2.842774       0.4626364     2.397942       0.6173540     3.412565       0.6987056 
1 1 1 5  9  22 o 4.674644       0.4711479     4.586951       0.6242921     4.790680       0.7181258 
1 1 1 5  9  23 o 18.09219       0.5436319     18.25112       0.7338333     17.89888       0.8093213 
1 1 1 5  9  24 o 2.484216       0.4612262     1.810458       0.6158093     3.345090       0.6960881 
1 1 1 5  9  25 o 3.251688       0.4370729     2.753003       0.5699027     3.963916       0.6810789 
1 1 1 5  9  26 o 2.769902       0.4374363     2.404557       0.5813848     3.246584       0.6640884 
1 1 1 5  9  27 o 0.4409773E-02  0.4381024     0.1441437      0.5782472     -0.1838826     0.6712419 
1 1 1 5  9  28 o 0.5018631E-01  0.4454286     0.5736047      0.5861750     -0.6650589     0.6852204 
1 1 1 5  9  29 o -0.1231809     0.4595412     -0.7199690     0.6181257     0.6142541      0.6871136 
1 1 1 5  9  30 o 0.9129916      0.5025384     0.5605656      0.6936993     1.302207       0.7290080 
1 1 1 5  9  31 f 1.306035       0.5119128     1.157688       0.7041424     1.472337       0.7455381 
1 1 1 5  9  32 o -1.077549      0.5328740     -0.9875051     0.7245675     -1.183622      0.7864226 
1 1 1 5  9  33 o 1.119174       0.5565675     1.038280       0.7510155     1.217729       0.8289540 
1 1 1 5  9  34 f 0.6934121      0.5757068     0.9442883      0.7861421     0.4032675      0.8454319 
1 1 1 5  9  35 o 0.4120880      0.8671837     0.1083904      1.088616      0.9394364      1.434508  
1 1 1 5  10 0  o 361.4572       4.218010      361.4572       2.982584      ?              ?         
1 1 1 5  10 1  o 72.52012       0.7899654     73.82243       1.160922      71.39713       1.078036  
1 1 1 5  10 2  o 6.501173       0.2776712     6.693758       0.4172455     6.348083       0.3720091 
1 1 1 5  10 3  o 140.5620       1.369416      139.7794       1.988286      141.2682       1.888832  
1 1 1 5  10 4  o 168.6978       1.667769      173.2915       2.383463      164.2911       2.334464  
1 1 1 5  10 5  o 15.66638       0.3576637     15.61060       0.4986246     15.72550       0.5133211 
1 1 1 5  10 6  o 18.25120       0.3768921     16.73822       0.5200322     19.92518       0.5470016 
1 1 1 5  10 7  o 310.5552       2.825280      306.3812       3.957988      314.8915       4.034202  
1 1 1 5  10 8  o 35.53799       0.5027577     34.79843       0.7332612     36.19413       0.6906629 
1 1 1 5  10 9  o 100.1002       1.053195      101.2514       1.549076      99.11063       1.436204  
1 1 1 5  10 10 o 190.9816       1.884682      192.0695       2.846263      190.1322       2.515047  
1 1 1 5  10 11 o 184.6778       1.831527      184.1871       2.753969      185.0670       2.452505  
1 1 1 5  10 12 o 93.39867       1.036776      92.38110       1.566631      94.19160       1.382936  
1 1 1 5  10 13 f 71.38083       0.8234757     72.29652       1.207732      70.58526       1.125729  
1 1 1 5  10 14 o 41.12244       0.5870990     40.80882       0.8570914     41.39967       0.8058432 
1 1 1 5  10 15 o 13.79070       0.4199784     14.03802       0.5805189     13.51912       0.6083354 
1 1 1 5  10 16 o 15.16087       0.4342351     14.79604       0.6025344     15.55512       0.6263607 
1 1 1 5  10 17 o 5.443909       0.4004494     6.031630       0.5509582     4.785740       0.5830451 
1 1 1 5  10 18 o 6.623876       0.4176742     7.156590       0.5821049     6.058572       0.5996466 
1 1 1 5  10 19 o 14.17311       0.4996228     14.64589       0.6713467     13.58622       0.7479987 
1 1 1 5  10 20 o 5.809633       0.4568777     6.005767       0.6248359     5.584291       0.6697444 
1 1 1 5  10 21 f 25.91260       0.6036289     25.50886       0.8168254     26.39837       0.8959745 
1 1 1 5  10 22 o 19.37403       0.5518565     19.55115       0.7429968     19.15609       0.8241889 
1 1 1 5  10 23 o 1.215530       0.4568380     1.350028       0.6009693     1.031420       0.7031243 
1 1 1 5  10 24 o 0.3422011      0.4356822     0.2160054      0.5741456     0.5135188      0.6689608 
1 1 1 5  10 25 o 0.2186683E-01  0.4283711     0.1694944E-02  0.5714734     0.4773751E-01  0.6471822 
1 1 1 5  10 26 o 0.7189545      0.4293859     1.008689       0.5672767     0.3302568      0.6570540 
1 1 1 5  10 27 o 0.4394722      0.4446815     0.4365434      0.5947180     0.4431859      0.6696848 
1 1 1 5  10 28 o 0.5257822      0.4424880     0.8503622      0.6006662     0.1406326      0.6543153 
1 1 1 5  10 29 o 1.857278       0.4611660     2.429224       0.6189011     1.143290       0.6914951 
1 1 1 5  10 30 o 1.748402       0.4837106     1.918369       0.6483536     1.535039       0.7264242 
1 1 1 5  10 31 f 0.3781271      0.4922953     1.028665       0.6483747     -0.5074338     0.7564827 
1 1 1 5  10 32 o 0.7800522      0.5147114     0.3646496      0.6792906     1.340089       0.7887319 
1 1 1 5  10 33 f 0.7849328      0.5289863     0.9258354      0.6929368     0.5881210      0.8189543 
1 1 1 5  10 34 o -0.4080982     0.5383105     -0.4198949     0.7013032     -0.3911792     0.8398688 
1 1 1 5  11 0  o 115.1462       1.704315      115.1462       1.205133      ?              ?         
1 1 1 5  11 1  o 102.0940       1.061216      104.2609       1.555096      100.2055       1.451796  
1 1 1 5  11 2  o 30.53373       0.4613859     29.75169       0.6740410     31.22321       0.6328972 
1 1 1 5  11 3  o 14.63375       0.3538882     14.47393       0.5191036     14.77253       0.4837151 
1 1 1 5  11 4  o 61.51546       0.7363329     60.01228       1.035902      63.05058       1.046849  
1 1 1 5  11 5  o 72.00141       0.8328518     71.87974       1.173749      72.12479       1.181954  
1 1 1 5  11 6  o 141.1398       1.447126      142.3837       2.048791      139.9013       2.044306  
1 1 1 5  11 7  o 0.3876776      0.3099275     0.6606575      0.4419134     0.1234382      0.4347810 
1 1 1 5  11 8  o 20.39598       0.4250782     19.65964       0.6123334     21.08088       0.5905605 
1 1 1 5  11 9  o 75.78626       0.8566335     75.73138       1.254452      75.83423       1.172611  
1 1 1 5  11 10 f 57.17184       0.7013181     56.27760       1.028686      57.94845       0.9586414 
1 1 1 5  11 11 o 15.16092       0.4016182     14.41592       0.6334819     15.66162       0.5193260 
1 1 1 5  11 12 f 55.67749       0.7325786     56.07824       1.125268      55.38270       0.9651186 
1 1 1 5  11 13 o 100.1578       1.126463      103.1914       1.722887      97.89266       1.488755  
1 1 1 5  11 14 o 2.940511       0.3508743     3.210774       0.5082615     2.694443       0.4849792 
1 1 1 5  11 15 o 12.57597       0.4086567     13.07443       0.5951043     12.13117       0.5621576 
1 1 1 5  11 16 o 14.85212       0.4508684     14.95892       0.6280324     14.73854       0.6476693 
1 1 1 5  11 17 o 48.16249       0.7171260     49.66625       1.009989      46.63357       1.018402  
1 1 1 5  11 18 o 26.33027       0.5670822     25.63539       0.7870352     27.08055       0.8178000 
1 1 1 5  11 19 o 8.297995       0.4656303     8.970046       0.6523606     7.600033       0.6648173 
1 1 1 5  11 20 f 12.55483       0.4926362     11.82280       0.6869127     13.33008       0.7069029 
1 1 1 5  11 21 o 10.91831       0.4909513     11.64229       0.6760663     10.11056       0.7141150 
1 1 1 5  11 22 o 13.33276       0.4986150     13.49516       0.6973640     13.16290       0.7131988 
1 1 1 5  11 23 o 3.177531       0.4755882     3.577292       0.6119924     2.568031       0.7556705 
1 1 1 5  11 24 o 2.012074       0.4686974     1.386975       0.6228341     2.828265       0.7116947 
1 1 1 5  11 25 o 8.821509       0.4683124     8.933329       0.6351166     8.688269       0.6932875 
1 1 1 5  11 26 o 3.313496       0.4596847     4.161263       0.6095139     2.195237       0.7000294 
1 1 1 5  11 27 f 10.58740       0.4938270     10.69809       0.6704959     10.45618       0.7300528 
1 1 1 5  11 28 o 2.199483       0.4588811     2.398691       0.6172900     1.953419       0.6860552 
1 1 1 5  11 29 o 2.602835       0.4799822     3.430746       0.6412060     1.547656       0.7238840 
1 1 1 5  11 30 f 0.5462356      0.4946136     0.4159727      0.6680735     0.7042478      0.7357991 
1 1 1 5  11 31 o 1.950875       0.5045522     2.286557       0.6666066     1.500615       0.7720359 
1 1 1 5  11 32 o 1.251370       0.5212072     1.141709       0.6851901     1.401957       0.8029285 
1 1 1 5  11 33 o 0.2473705      0.5431069     -0.2632889     0.7311751     0.8758933      0.8111781 
1 1 1 5  11 34 o 0.6589788      0.5569507     1.257635       0.7469948     -0.9039228E-01 0.8357520 
1 1 1 5  12 0  o 5.398763       0.4579660     5.398763       0.3238308     ?              ?         
1 1 1 5  12 1  o 69.98675       0.7995766     68.88251       1.160710      70.98399       1.103037  
1 1 1 5  12 2  o 13.38880       0.3601884     14.88218       0.5433233     12.21789       0.4811002 
1 1 1 5  12 3  o 60.67307       0.7242045     60.45445       1.054216      60.86843       0.9965727 
1 1 1 5  12 4  f 18.88885       0.4109960     19.64195       0.5846347     18.15301       0.5778961 
1 1 1 5  12 5  o 183.3168       1.827000      188.0385       2.598799      178.7028       2.568994  
1 1 1 5  12 6  o 192.0792       1.908126      195.3729       2.710605      188.8436       2.686551  
1 1 1 5  12 7  o 207.7830       2.061689      209.9688       2.923224      205.6197       2.908171  
1 1 1 5  12 8  o 346.4212       3.096262      352.3434       4.541188      341.2764       4.232630  
1 1 1 5  12 9  o 197.2980       1.921751      196.5821       2.791031      197.9434       2.649983  
1 1 1 5  12 10 o 200.4693       1.952201      198.2767       2.836354      202.4429       2.691033  
1 1 1 5  12 11 o 59.28606       0.7560208     59.41465       1.115044      59.17664       1.028537  
1 1 1 5  12 12 f 41.46319       0.6351997     42.28709       0.9853391     40.87733       0.8308944 
1 1 1 5  12 13 o 34.11641       0.5789105     35.31731       0.9173581     33.32166       0.7462767 
1 1 1 5  12 14 o 23.64673       0.4888007     24.29875       0.7238064     23.10006       0.6627580 
1 1 1 5  12 15 o 6.449946       0.3925382     5.545299       0.5798713     7.215154       0.5333123 
1 1 1 5  12 16 o 17.27865       0.5702737     14.28297       0.9624940     18.89918       0.7079102 
1 1 1 5  12 17 o 2.661631       0.4274254     2.356229       0.5897797     2.999477       0.6203173 
1 1 1 5  12 18 o 4.821895       0.4533627     4.847074       0.6328212     4.795346       0.6498200 
1 1 1 5  12 19 o 2.513802       0.4500374     2.619970       0.6260243     2.400256       0.6474124 
1 1 1 5  12 20 o 33.21452       0.6461996     34.04996       0.9073817     32.35476       0.9204876 
1 1 1 5  12 21 o 14.95891       0.5084748     14.09918       0.7112536     15.85762       0.7271953 
1 1 1 5  12 22 o 16.13504       0.5134671     17.04795       0.7211834     15.19654       0.7312249 
1 1 1 5  12 23 o 8.944721       0.4675935     9.909741       0.6472586     7.891324       0.6762475 
1 1 1 5  12 24 o 2.691850       0.4364832     2.827171       0.6006610     2.540444       0.6353605 
1 1 1 5  12 25 o 4.924277       0.4354964     4.799246       0.5982723     5.065197       0.6351505 
1 1 1 5  12 26 o 0.6121097      0.4331062     0.5027162      0.5936881     0.7365612      0.6332316 
1 1 1 5  12 27 o 2.493988       0.4583225     2.402034       0.6213440     2.603731       0.6787910 
1 1 1 5  12 28 o 0.6739776      0.4847075     0.6967205      0.6487371     0.6452379      0.7292680 
1 1 1 5  12 29 o 2.075624       0.4801133     1.512493       0.6468483     2.766438       0.7164376 
1 1 1 5  12 30 o 0.2471048      0.4981837     -0.3699469     0.6638203     1.042781       0.7538033 
1 1 1 5  12 31 f 1.092839       0.5149099     1.275273       0.6766701     0.8418965      0.7936169 
1 1 1 5  12 32 o 0.6421138      0.5359922     1.129587       0.7164409     0.2244544E-01  0.8077645 
1 1 1 5  12 33 o 0.4717160      0.5402383     0.9247312      0.7085632     -0.1572713     0.8349167 
1 1 1 5  13 0  o 53.42509       0.9880214     53.42509       0.6986367     ?              ?         
1 1 1 5  13 1  o 29.49657       0.5078983     29.54679       0.7163909     29.44582       0.7201772 
1 1 1 5  13 2  f 82.69177       0.9492701     82.35701       1.420974      82.96158       1.275689  
1 1 1 5  13 3  o 97.51177       1.056321      98.45090       1.542505      96.68243       1.449552  
1 1 1 5  13 4  o 73.15396       0.8734509     75.09023       1.244042      71.27151       1.226634  
1 1 1 5  13 5  o 97.34855       1.089089      99.17405       1.550622      95.57130       1.529993  
1 1 1 5  13 6  o 90.84202       1.036088      89.57551       1.456335      92.14001       1.474329  
1 1 1 5  13 7  o 100.4140       1.131651      101.1298       1.598012      99.69389       1.602791  
1 1 1 5  13 8  o 94.33391       1.050910      90.13229       1.513790      98.24270       1.460088  
1 1 1 5  13 9  f 70.81410       0.8520221     69.69283       1.239547      71.81835       1.173081  
1 1 1 5  13 10 o 29.92792       0.5407620     31.65474       0.8173174     28.58345       0.7211794 
1 1 1 5  13 11 o 37.63008       0.6057941     37.89949       0.9017389     37.40847       0.8178375 
1 1 1 5  13 12 o 147.8677       1.530012      147.4194       2.239653      148.2600       2.095101  
1 1 1 5  13 13 f 55.51166       0.7708820     54.77758       1.185271      56.04981       1.014846  
1 1 1 5  13 14 o 74.64462       0.9395225     74.45759       1.425046      74.78843       1.249554  
1 1 1 5  13 15 o 16.96276       0.4698658     17.00419       0.6915167     16.92722       0.6404041 
1 1 1 5  13 16 o 16.15169       0.4886768     15.79592       0.7168398     16.46057       0.6679357 
1 1 1 5  13 17 o 5.803273       0.4433222     5.878192       0.6597857     5.741609       0.5985785 
1 1 1 5  13 18 o 5.785717       0.4693146     6.055497       0.6660107     5.519632       0.6614351 
1 1 1 5  13 19 o 24.20117       0.5744312     24.98835       0.8078701     23.39620       0.8169428 
1 1 1 5  13 20 o 15.77642       0.5249099     15.96295       0.7305833     15.57738       0.7546721 
1 1 1 5  13 21 o 9.038294       0.4716838     8.970659       0.6517250     9.112692       0.6835346 
1 1 1 5  13 22 o 8.864624       0.4633970     9.185265       0.6434335     8.519096       0.6679379 
1 1 1 5  13 23 o 7.821293       0.4614548     7.624926       0.6319849     8.045544       0.6753640 
1 1 1 5  13 24 o 5.119302       0.4456642     5.136697       0.6170709     5.100336       0.6443420 
1 1 1 5  13 25 o 0.4912780      0.4314445     0.9858086      0.5910802     -0.7266995E-01 0.6312034 
1 1 1 5  13 26 o 0.4114525      0.4415813     -0.1760657     0.5959684     1.126644       0.6575426 
1 1 1 5  13 27 o 0.4114955      0.4587085     0.9478738      0.6402031     -0.1543768     0.6575690 
1 1 1 5  13 28 o 1.955556       0.4694795     2.469488       0.6513796     1.399965       0.6772652 
1 1 1 5  13 29 o 0.1416661      0.4793270     0.4982113      0.6700656     -0.2319893     0.6859550 
1 1 1 5  13 30 o 0.8921393      0.4981585     0.9678152      0.6961184     0.8127046      0.7131970 
1 1 1 5  13 31 f 0.2912137E-01  0.5093830     -1.108523      0.6908525     1.384389       0.7540404 
1 1 1 5  13 32 o 1.051216       0.5309173     1.150990       0.7241657     0.9352633      0.7806758 
1 1 1 5  13 33 o -0.3512909     0.5393577     0.6831987      0.7238388     -1.642680      0.8087372 
1 1 1 5  14 0  o 120.4334       1.837525      120.4334       1.299326      ?              ?         
1 1 1 5  14 1  o 273.5674       2.646671      275.3521       3.752206      271.8001       3.733777  
1 1 1 5  14 2  o 277.0174       2.689484      277.4809       3.785090      276.5447       3.822192  
1 1 1 5  14 3  o 553.1112       4.755683      555.1527       6.940168      551.3040       6.529687  
1 1 1 5  14 4  o 46.76196       0.6726288     46.55561       0.9476680     46.97145       0.9548542 
1 1 1 5  14 5  o 4.124577       0.4021408     4.200771       0.5709859     4.049584       0.5664670 
1 1 1 5  14 6  o 62.82433       0.8193223     63.32769       1.157735      62.31929       1.159661  
1 1 1 5  14 7  o 20.17622       0.4935691     19.82650       0.6868169     20.54971       0.7097733 
1 1 1 5  14 8  o 65.81459       0.8251497     64.88824       1.204016      66.63501       1.133087  
1 1 1 5  14 9  o 10.52695       0.4242263     10.90324       0.6335015     10.22102       0.5712149 
1 1 1 5  14 10 o 22.84022       0.5064212     22.77196       0.7634891     22.89385       0.6767126 
1 1 1 5  14 11 o 42.05560       0.6498007     41.65323       0.9621297     42.39307       0.8811190 
1 1 1 5  14 12 f 19.96898       0.5001293     18.81877       0.7435064     20.91952       0.6758971 
1 1 1 5  14 13 o 72.09167       0.9043775     71.29730       1.326134      72.78231       1.236528  
1 1 1 5  14 14 o 44.66809       0.7148456     44.97827       1.104666      44.44462       0.9376341 
1 1 1 5  14 15 o 35.43001       0.7154794     35.25578       1.126851      35.54770       0.9261104 
1 1 1 5  14 16 f 1.013472       0.4263955     1.230247       0.6140482     0.8116065      0.5925545 
1 1 1 5  14 17 o 9.062500       0.4751721     9.786503       0.7085394     8.470725       0.6405780 
1 1 1 5  14 18 o 10.35679       0.4855924     9.903268       0.7173200     10.74043       0.6597492 
1 1 1 5  14 19 o 20.13988       0.5557239     19.39992       0.7810531     20.89855       0.7908634 
1 1 1 5  14 20 o 10.27092       0.4924549     9.992984       0.6772690     10.58270       0.7173289 
1 1 1 5  14 21 f 5.102031       0.4622237     6.005140       0.6407992     4.122455       0.6673766 
1 1 1 5  14 22 o 4.759082       0.4669409     4.760965       0.6419900     4.756966       0.6803899 
1 1 1 5  14 23 f 5.786265       0.4527756     6.103871       0.6335391     5.454686       0.6473263 
1 1 1 5  14 24 f 2.248800       0.4426431     2.032004       0.6069444     2.495120       0.6469532 
1 1 1 5  14 25 o 2.830493       0.4502704     2.903466       0.6180330     2.747943       0.6573402 
1 1 1 5  14 26 o 0.5662629      0.4533632     -0.4248684E-01 0.6254051     1.240432       0.6581523 
1 1 1 5  14 27 o -0.3134200     0.4550897     -0.2342515     0.6291091     -0.4003240     0.6591278 
1 1 1 5  14 28 o 0.3085337      0.4765168     0.1661907      0.6427789     0.4822157      0.7100204 
1 1 1 5  14 29 o 0.3438168      0.5049746     0.8867649      0.6731859     -0.3547979     0.7636155 
1 1 1 5  14 30 o 0.3271477      0.5039068     0.9961590E-01  0.6921335     0.5837824      0.7350664 
1 1 1 5  14 31 o 0.8570396      0.5238843     0.7323174      0.7109775     1.005202       0.7749131 
1 1 1 5  14 32 o 0.6428556E-01  0.5314841     -0.6172538     0.7374790     0.8007741      0.7666324 
1 1 1 5  15 0  o 59.69207       1.130575      59.69207       0.7994369     ?              ?         
1 1 1 5  15 1  o 28.99252       0.5551234     29.27909       0.7820929     28.70156       0.7880672 
1 1 1 5  15 2  o 23.61411       0.5284653     24.00315       0.7444245     23.21887       0.7503361 
1 1 1 5  15 3  o 111.7852       1.253006      111.6344       1.767928      111.9374       1.776137  
1 1 1 5  15 4  o 106.5060       1.213815      108.1683       1.716461      104.8432       1.716725  
1 1 1 5  15 5  o 11.01274       0.4642164     9.713564       0.6495343     12.36919       0.6636970 
1 1 1 5  15 6  f 49.52298       0.7307013     47.76462       1.020097      51.37590       1.047170  
1 1 1 5  15 7  o 153.6507       1.645966      153.0005       2.321115      154.3084       2.334437  
1 1 1 5  15 8  o 95.56898       1.095785      94.92154       1.595932      96.14643       1.507219  
1 1 1 5  15 9  o 6.073205       0.4253061     5.936649       0.6402529     6.181050       0.5689824 
1 1 1 5  15 10 o 19.58718       0.5083416     18.81029       0.7609984     20.21316       0.6831008 
1 1 1 5  15 11 f 17.34851       0.5057429     17.97409       0.7566068     16.84324       0.6799722 
1 1 1 5  15 12 o 12.43527       0.4806005     11.67259       0.7249241     13.03336       0.6419572 
1 1 1 5  15 13 o 8.034694       0.4811877     8.166290       0.7180155     7.927407       0.6483143 
1 1 1 5  15 14 o 6.972760       0.5034340     7.891921       0.8053687     6.383252       0.6449762 
1 1 1 5  15 15 o 10.20375       0.5212552     10.65018       0.8397461     9.923916       0.6648452 
1 1 1 5  15 16 o 10.58498       0.5259286     10.52011       0.8425114     10.62640       0.6732029 
1 1 1 5  15 17 o 3.456932       0.4446553     3.180738       0.6397943     3.714984       0.6184253 
1 1 1 5  15 18 o 7.491149       0.4731624     7.533745       0.7052113     7.456274       0.6381140 
1 1 1 5  15 19 o 9.252151       0.4691207     9.120358       0.6796445     9.372082       0.6483359 
1 1 1 5  15 20 o 2.772146       0.4572242     3.011077       0.6307829     2.507629       0.6636975 
1 1 1 5  15 21 o 1.026501       0.4404995     1.081633       0.6071652     0.9652337      0.6400563 
1 1 1 5  15 22 o -0.1966114     0.4306588     -0.4049907     0.5873610     0.4565298E-01  0.6333191 
1 1 1 5  15 23 o 1.380781       0.4379810     1.575610       0.6169739     1.182858       0.6218522 
1 1 1 5  15 24 f 2.847779       0.4372943     2.469889       0.5910896     3.304673       0.6499472 
1 1 1 5  15 25 f -0.3712880     0.4379897     -0.8142820     0.6173436     0.7769009E-01  0.6214993 
1 1 1 5  15 26 o -0.1092815     0.4565056     0.5695423      0.6328490     -0.8456936     0.6591465 
1 1 1 5  15 27 o 0.3857412      0.4735667     0.3702302      0.6507811     0.4031995      0.6904246 
1 1 1 5  15 28 o 0.2856408      0.4893186     1.190650       0.6801671     -0.6852108     0.7044750 
1 1 1 5  15 29 o 0.4801161      0.4954985     0.5813836      0.6911066     0.3729983      0.7107891 
1 1 1 5  15 30 f 0.6797055      0.5232477     1.048936       0.7156430     0.2555901      0.7669904 
1 1 1 5  15 31 o 0.2903340      0.5299722     0.1702367      0.7216964     0.4308976      0.7807725 
1 1 1 5  16 0  o 141.8990       2.177862      141.8990       1.539981      ?              ?         
1 1 1 5  16 1  o 97.91774       1.145252      98.09229       1.616953      97.74203       1.622322  
1 1 1 5  16 2  o 124.5534       1.380695      123.6578       1.949398      125.4549       1.955812  
1 1 1 5  16 3  o 105.6924       1.212846      107.0232       1.716268      104.3649       1.714181  
1 1 1 5  16 4  f 26.49008       0.5802763     26.41814       0.8262997     26.56007       0.8150846 
1 1 1 5  16 5  o 4.160048       0.4735078     4.324420       0.6681533     3.994205       0.6711389 
1 1 1 5  16 6  f 9.179472       0.4737891     10.58780       0.6564430     7.648108       0.6845164 
1 1 1 5  16 7  o 2.743809       0.4611683     2.510799       0.6478741     2.983134       0.6565942 
1 1 1 5  16 8  f 48.38669       0.7227885     47.36553       1.047230      49.31565       0.9988406 
1 1 1 5  16 9  o 120.6369       1.332725      119.8281       1.940155      121.3594       1.833851  
1 1 1 5  16 10 o 48.50702       0.7331831     47.36317       1.074542      49.50345       1.002914  
1 1 1 5  16 11 o 53.23614       0.7767368     52.72501       1.150377      53.66441       1.053012  
1 1 1 5  16 12 f 20.21145       0.5532746     20.21806       0.8400416     20.20639       0.7352788 
1 1 1 5  16 13 f 26.96126       0.6135935     27.11256       0.9127176     26.83648       0.8288383 
1 1 1 5  16 14 o 0.5769477      0.4828696     1.378715       0.7254227     -0.6091790E-01 0.6470407 
1 1 1 5  16 15 o 1.733335       0.4847953     0.3833117      0.7652533     2.638365       0.6265651 
1 1 1 5  16 16 o -1.820118      0.4636804     -0.8146752     0.7117077     -2.561624      0.6111953 
1 1 1 5  16 17 o 7.610036       0.5133880     7.421463       0.7889858     7.748507       0.6760973 
1 1 1 5  16 18 o 3.180650       0.4487007     3.735794       0.6485198     2.670864       0.6214619 
1 1 1 5  16 19 o 6.917061       0.4520139     7.504582       0.6672889     6.418881       0.6144623 
1 1 1 5  16 20 o 1.518015       0.4406573     1.731302       0.6274450     1.310425       0.6190076 
1 1 1 5  16 21 o 1.965480       0.4484573     2.102119       0.6196668     1.815211       0.6498371 
1 1 1 5  16 22 o 0.9614108      0.4272342     1.393795       0.5993863     0.5148507      0.6091323 
1 1 1 5  16 23 o 1.588460       0.4578002     1.830493       0.6380590     1.331671       0.6572208 
1 1 1 5  16 24 o -0.4490228     0.4471665     -0.6448334     0.6207107     -0.2377502     0.6447520 
1 1 1 5  16 25 o 0.7105416      0.4664600     0.4858737      0.6492958     0.9501706      0.6705663 
1 1 1 5  16 26 o 0.7201461      0.4565745     0.5568892      0.6270902     0.9043232      0.6660580 
1 1 1 5  16 27 o 0.3782341      0.5093910     -0.7028645E-01 0.6999786     0.8831638      0.7426925 
1 1 1 5  16 28 o -0.5441163     0.4975910     -0.5053026     0.6969471     -0.5844716     0.7106530 
1 1 1 5  16 29 o 0.4038529      0.5030740     0.5926449      0.7130904     0.2167838      0.7098290 
1 1 1 5  16 30 o 0.3076956      0.5195532     1.311467       0.7246321     -0.7542169     0.7453231 
1 1 1 5  16 31 o 0.2949706E-01  0.6107092     -0.3128145E-01 0.8745127     0.8735290E-01  0.8532271 
1 1 1 5  17 0  o 31.17092       0.8645427     31.17092       0.6113240     ?              ?         
1 1 1 5  17 1  o 3.512566       0.4532443     3.219620       0.6264808     3.834302       0.6565439 
1 1 1 5  17 2  o 64.06113       0.8607996     63.33208       1.203475      64.82480       1.231726  
1 1 1 5  17 3  o 25.96112       0.5870717     25.85218       0.8263805     26.07213       0.8341636 
1 1 1 5  17 4  o 11.96109       0.5420467     12.98325       0.7218275     10.63936       0.8208175 
1 1 1 5  17 5  o 35.95185       0.6588485     37.38235       0.9278471     34.49702       0.9357076 
1 1 1 5  17 6  o 98.08796       1.178589      97.78834       1.654109      98.39694       1.679740  
1 1 1 5  17 7  o 58.57609       0.8489314     58.79370       1.194337      58.35388       1.206902  
1 1 1 5  17 8  o 8.935490       0.5101436     8.591766       0.7461771     9.237151       0.6990324 
1 1 1 5  17 9  o 3.875822       0.4904060     3.930543       0.7395509     3.832876       0.6551682 
1 1 1 5  17 10 f 24.97174       0.5941011     24.64870       0.8880551     25.23345       0.7993070 
1 1 1 5  17 11 o 29.16485       0.6239156     29.30252       0.9257887     29.05029       0.8445028 
1 1 1 5  17 12 f 22.68410       0.5953733     23.08387       0.8617702     22.31904       0.8235028 
1 1 1 5  17 13 o 11.32176       0.5243579     11.22984       0.7520767     11.40871       0.7314611 
1 1 1 5  17 14 o 12.92537       0.5327799     11.78925       0.7790481     13.92360       0.7302464 
1 1 1 5  17 15 o 2.582151       0.4657847     2.468387       0.6912767     2.676750       0.6303668 
1 1 1 5  17 16 o -0.1360284     0.4704167     0.8420165      0.7507966     -0.7681286     0.6035814 
1 1 1 5  17 17 o 0.5420502      0.4736867     1.257476       0.7525078     0.7252146E-01  0.6096206 
1 1 1 5  17 18 o 6.896495       0.4949934     8.296946       0.7824593     5.962090       0.6391393 
1 1 1 5  17 19 o 0.8157485      0.4557746     1.328262       0.7231125     0.4779381      0.5870696 
1 1 1 5  17 20 o 3.607362       0.4331190     3.051476       0.6188288     4.141153       0.6064057 
1 1 1 5  17 21 o 3.850296       0.4495676     3.344418       0.6171765     4.422140       0.6561840 
1 1 1 5  17 22 o 4.893695       0.4615756     4.555257       0.6312902     5.282453       0.6765952 
1 1 1 5  17 23 o 0.4072440      0.4594787     0.5481058      0.6530619     0.2691609      0.6465884 
1 1 1 5  17 24 o 0.2348835      0.4704945     0.1971501      0.6552998     0.2750313      0.6759396 
1 1 1 5  17 25 o 0.4532595      0.4718443     1.387355       0.6605873     -0.5197251     0.6741980 
1 1 1 5  17 26 f 2.322165       0.5063738     2.229356       0.7062066     2.420375       0.7264645 
1 1 1 5  17 27 o 2.360312       0.5134685     2.271992       0.7210997     2.451151       0.7313163 
1 1 1 5  17 28 o 0.4196611      0.5188377     0.8918428      0.7232161     -0.8106100E-01 0.7447524 
1 1 1 5  17 29 o -0.2729441     0.5311826     0.1502944      0.7428775     -0.7157083     0.7598203 
1 1 1 5  17 30 o 0.3210470      0.5286410     0.6413687E-02  0.7376465     0.6532753      0.7579913 
1 1 1 5  18 0  o 69.18784       1.314389      69.18784       0.9294134     ?              ?         
1 1 1 5  18 1  o 49.39551       0.7700359     47.68878       1.086562      51.11761       1.091445  
1 1 1 5  18 2  o 28.06781       0.6246241     26.92253       0.8668696     29.30453       0.9008116 
1 1 1 5  18 3  o 18.32236       0.5695586     19.37202       0.7974987     17.22963       0.8137007 
1 1 1 5  18 4  o 96.08745       1.209469      96.90837       1.650257      95.13479       1.777744  
1 1 1 5  18 5  o 255.0334       2.684274      254.9414       3.673696      255.1388       3.931698  
1 1 1 5  18 6  o 148.4775       1.744442      147.1541       2.438998      149.8634       2.496016  
1 1 1 5  18 7  o 81.23453       1.058400      79.85339       1.476478      82.69442       1.517993  
1 1 1 5  18 8  o 8.596976       0.5173141     8.345384       0.7660108     8.807936       0.7014325 
1 1 1 5  18 9  o 17.43072       0.5604507     16.37319       0.8214685     18.35162       0.7665700 
1 1 1 5  18 10 o 54.52901       0.8158565     54.74577       1.187688      54.33534       1.122648  
1 1 1 5  18 11 o 33.47836       0.6584065     32.85590       0.9526340     34.04762       0.9110146 
1 1 1 5  18 12 o 17.14977       0.5654393     16.27274       0.8210249     17.94108       0.7798656 
1 1 1 5  18 13 o 8.313699       0.5038113     7.298555       0.7427293     9.178882       0.6856789 
1 1 1 5  18 14 o 3.439149       0.4857249     2.891854       0.7269794     3.880487       0.6528257 
1 1 1 5  18 15 o 2.376862       0.4628659     2.444190       0.6859559     2.320580       0.6271696 
1 1 1 5  18 16 o 2.597110       0.4775167     2.869897       0.7061448     2.367259       0.6481922 
1 1 1 5  18 17 o 7.942178       0.4857494     8.406737       0.7559531     7.615471       0.6339467 
1 1 1 5  18 18 o 0.3704766      0.4689460     0.4109966      0.7266278     0.3415529      0.6139101 
1 1 1 5  18 19 o 1.275920       0.4679798     0.8109469      0.7432860     1.581290       0.6023589 
1 1 1 5  18 20 o 5.271560       0.4747460     4.642864       0.7584078     5.676643       0.6087725 
1 1 1 5  18 21 o 7.100705       0.4440972     7.069879       0.6443036     7.128604       0.6129643 
1 1 1 5  18 22 o 2.039979       0.4543726     1.782643       0.6505170     2.285127       0.6349264 
1 1 1 5  18 23 o 0.2346249      0.4681496     0.6103513E-01  0.6642720     0.4059252      0.6598769 
1 1 1 5  18 24 o -0.4550233     0.4675004     -0.7378871     0.6577483     -0.1662392     0.6645958 
1 1 1 5  18 25 o 0.6018983      0.4978382     1.161112       0.6958137     0.1540194E-01  0.7125850 
1 1 1 5  18 26 o 1.317862       0.5021566     0.5244229      0.7000703     2.158734       0.7206919 
1 1 1 5  18 27 f 0.8285190      0.5147800     0.5682936      0.7257463     1.092015       0.7302927 
1 1 1 5  18 28 o 1.277638       0.5362728     1.237363       0.7649091     1.316571       0.7520624 
1 1 1 5  18 29 o -0.6828365E-01 0.5273955     -0.3610338E-01 0.7311226     -0.1031940     0.7615047 
1 1 1 5  19 0  o 196.6735       2.959571      196.6735       2.092733      ?              ?         
1 1 1 5  19 1  o 96.61281       1.169502      94.98618       1.638451      98.30237       1.669846  
1 1 1 5  19 2  o 6.823365       0.5298997     6.310404       0.7229171     7.419009       0.7790046 
1 1 1 5  19 3  o 56.86804       0.8813041     55.82028       1.267369      57.84907       1.226348  
1 1 1 5  19 4  o 50.77306       0.8090054     49.48668       1.120095      52.17597       1.169732  
1 1 1 5  19 5  o 51.85542       0.8516694     50.97411       1.123582      53.04561       1.305720  
1 1 1 5  19 6  o 26.93283       0.6839196     27.16433       0.8992284     26.61517       1.053376  
1 1 1 5  19 7  o 7.094216       0.5184234     6.868704       0.7459066     7.304948       0.7210480 
1 1 1 5  19 8  o 5.994823       0.5073183     5.691931       0.7093719     6.311926       0.7258239 
1 1 1 5  19 9  f 17.03646       0.5692909     17.03831       0.8215091     17.03475       0.7896343 
1 1 1 5  19 10 o 40.70673       0.7232642     39.30016       1.042506      42.01200       1.004265  
1 1 1 5  19 11 o 41.25710       0.7235598     41.45726       1.051794      41.07728       0.9969436 
1 1 1 5  19 12 o 2.911547       0.5042796     3.533110       0.7408909     2.375055       0.6883250 
1 1 1 5  19 13 o 7.291197       0.5136760     7.310524       0.7502585     7.274143       0.7047689 
1 1 1 5  19 14 o -0.1049548     0.4587403     -0.1026104E-01 0.6644799     -0.1911876     0.6340994 
1 1 1 5  19 15 o 7.128724       0.4955275     6.773745       0.7462930     7.408630       0.6626952 
1 1 1 5  19 16 o 10.30500       0.5037215     10.22784       0.7422775     10.37088       0.6858084 
1 1 1 5  19 17 o 10.03481       0.4992083     11.31075       0.7508898     9.024158       0.6682827 
1 1 1 5  19 18 o 8.481831       0.5081173     7.622340       0.7932513     9.079856       0.6616833 
1 1 1 5  19 19 o 6.436074       0.5036911     6.292266       0.7969213     6.531739       0.6499822 
1 1 1 5  19 20 f 3.471617       0.4868076     3.352370       0.7826056     3.546877       0.6217290 
1 1 1 5  19 21 o -0.6799555     0.4678729     -0.8385102     0.7568632     -0.5818917     0.5952267 
1 1 1 5  19 22 o 0.9542006      0.4557342     0.8648657      0.6275763     1.053870       0.6628831 
1 1 1 5  19 23 o 1.312545       0.4871802     1.176263       0.6840355     1.452838       0.6940269 
1 1 1 5  19 24 o 0.5571434      0.4824111     0.2384515      0.6619825     0.9180486      0.7044619 
1 1 1 5  19 25 o 0.3120464E-01  0.5104102     -0.8175331E-01 0.7169648     0.1472810      0.7267938 
1 1 1 5  19 26 o 0.4798512      0.5205444     0.4114641      0.7389762     0.5472061      0.7333777 
1 1 1 5  19 27 o 1.124966       0.5327822     1.873439       0.7455014     0.3436225      0.7616951 
1 1 1 5  19 28 o 0.7412928      0.5342429     -0.4569865     0.7502086     1.974208       0.7609736 
1 1 1 5  20 0  o 22.22311       0.8509055     22.22311       0.6016811     ?              ?         
1 1 1 5  20 1  o 22.98830       0.6250972     22.73006       0.8777285     23.25407       0.8904508 
1 1 1 5  20 2  o 36.15026       0.7145301     35.36998       0.9941276     36.98414       1.027705  
1 1 1 5  20 3  f 7.519390       0.5549355     8.020025       0.7539754     6.927615       0.8197371 
1 1 1 5  20 4  o 12.94909       0.5715961     13.33219       0.7924338     12.53356       0.8252845 
1 1 1 5  20 5  f 4.764912       0.5581278     5.251764       0.7030550     3.935183       0.9178230 
1 1 1 5  20 6  o 7.099689       0.5909123     7.056545       0.7694792     7.161703       0.9225446 
1 1 1 5  20 7  o 5.956039       0.5356995     5.775149       0.7320229     6.164614       0.7860457 
1 1 1 5  20 8  o 2.934399       0.5141101     2.743262       0.7353891     3.117117       0.7190105 
1 1 1 5  20 9  o 5.219483       0.5274054     4.804331       0.7553540     5.614407       0.7367228 
1 1 1 5  20 10 o 4.837301       0.5116629     4.873513       0.7464640     4.805210       0.7027171 
1 1 1 5  20 11 o 0.1812677      0.4871296     -0.1217820     0.7131274     0.4463767      0.6669948 
1 1 1 5  20 12 o 1.021135       0.4716676     1.303231       0.6783010     0.7570271      0.6563193 
1 1 1 5  20 13 f 0.8341286E-01  0.4918146     -0.4357938     0.7081609     0.5671629      0.6835533 
1 1 1 5  20 14 o 4.305284       0.4904272     4.519197       0.7055438     4.105302       0.6821836 
1 1 1 5  20 15 f 1.775939       0.4744657     2.436406       0.7088664     1.239902       0.6386111 
1 1 1 5  20 16 o 1.312284       0.4738790     1.101981       0.7065894     1.484197       0.6388508 
1 1 1 5  20 17 o -0.4334810     0.4729742     -0.5460718     0.7162531     -0.3464231     0.6298240 
1 1 1 5  20 18 o 0.4494095      0.4816855     1.092719       0.7640907     0.2514688E-01  0.6205149 
1 1 1 5  20 19 f 1.404190       0.4952021     1.797002       0.7988874     1.159080       0.6310648 
1 1 1 5  20 20 o 1.501567       0.4756138     0.4693148      0.7806284     2.110964       0.5997936 
1 1 1 5  20 21 o 1.916212       0.4809535     2.646936       0.7812410     1.470252       0.6103182 
1 1 1 5  20 22 o 0.8673731      0.5025075     1.195834       0.8157934     0.6665505      0.6378888 
1 1 1 5  20 23 f 0.1524432      0.4852524     0.1011809      0.6694483     0.2091956      0.7043849 
1 1 1 5  20 24 o 1.487962       0.5206191     1.297636       0.7302334     1.684711       0.7424517 
1 1 1 5  20 25 o 0.7654393      0.5348026     0.4631183      0.7412404     1.093686       0.7723698 
1 1 1 5  20 26 o 0.5795925      0.5218828     0.2629761      0.7463605     0.8824955      0.7300183 
1 1 1 5  20 27 o 0.6008613      0.5491129     -0.4764499     0.7819844     1.648806       0.7712526 
1 1 1 5  21 0  o 2.357619       0.7196422     2.357619       0.5088639     ?              ?         
1 1 1 5  21 1  o 4.134754       0.5309565     4.920208       0.7579678     3.377985       0.7439988 
1 1 1 5  21 2  o 1.259069       0.5207586     0.9105235      0.7185919     1.644581       0.7557392 
1 1 1 5  21 3  o 1.412208       0.5331683     1.911587       0.7371068     0.8642322      0.7721402 
1 1 1 5  21 4  o 19.78904       0.6238407     20.72312       0.8681702     18.79184       0.8970252 
1 1 1 5  21 5  o 19.71470       0.6472874     20.26097       0.8473283     18.94920       1.003055  
1 1 1 5  21 6  o 35.30107       0.7464272     34.50668       0.9847703     36.37374       1.144321  
1 1 1 5  21 7  o 13.28988       0.5700214     13.71486       0.7908282     12.83033       0.8223600 
1 1 1 5  21 8  o 9.729615       0.5638853     9.639995       0.7839288     9.825699       0.8117046 
1 1 1 5  21 9  o 13.42130       0.5486429     13.69703       0.7852025     13.15827       0.7669172 
1 1 1 5  21 10 f 5.706364       0.5081836     5.046846       0.7429295     6.286290       0.6966602 
1 1 1 5  21 11 o 3.116422       0.5010614     2.458322       0.7212254     3.730403       0.6966301 
1 1 1 5  21 12 o 5.561640       0.5160467     5.731678       0.7711221     5.423722       0.6944807 
1 1 1 5  21 13 o 12.47101       0.5406985     11.89505       0.7966441     12.96296       0.7362482 
1 1 1 5  21 14 o 9.585141       0.5200168     9.347880       0.7482742     9.806766       0.7231965 
1 1 1 5  21 15 o 5.483570       0.4903001     6.388455       0.7402402     4.776299       0.6544383 
1 1 1 5  21 16 o 0.4498251      0.4722758     0.7196165      0.7177264     0.2438059      0.6271893 
1 1 1 5  21 17 f 0.7092141      0.4807656     0.3053541      0.7355086     1.010490       0.6352640 
1 1 1 5  21 18 o 0.1797661      0.4807800     -0.4858818     0.7328616     0.6826943      0.6370194 
1 1 1 5  21 19 o -0.4550370     0.4746402     0.3453459      0.7691686     -0.9472421     0.6031783 
1 1 1 5  21 20 o 0.1086970      0.4899788     -1.770660      0.8213378     1.147080       0.6105145 
1 1 1 5  21 21 o -0.2361050     0.5100634     -0.7517991     0.8072159     0.1066497      0.6580900 
1 1 1 5  21 22 o 1.397869       0.5170355     0.8534803      0.8539100     1.712979       0.6496632 
1 1 1 5  21 23 o 0.6917275      0.5443991     0.4678443      0.8859246     0.8275585      0.6900576 
1 1 1 5  21 24 o 0.9708707      0.5697935     -0.3764523     0.8815836     1.937509       0.7467232 
1 1 1 5  21 25 o 0.3169990      0.5408057     0.7341155E-01  0.7605766     0.5660924      0.7691244 
1 1 1 5  21 26 o -0.3295384     0.5514019     -0.3856417     0.7829705     -0.2743348     0.7766677 
1 1 1 5  22 0  f 7.608505       0.7662638     7.608505       0.5418304     ?              ?         
1 1 1 5  22 1  o 3.746030       0.5417832     3.036045       0.7544501     4.502021       0.7785107 
1 1 1 5  22 2  o 4.912482       0.5311126     5.876888       0.7473377     3.928374       0.7549332 
1 1 1 5  22 3  o 4.208257       0.5274402     4.114288       0.7297146     4.311059       0.7632405 
1 1 1 5  22 4  o 6.537360       0.5373750     6.126598       0.7419485     6.990586       0.7793567 
1 1 1 5  22 5  o 4.952327       0.5800149     4.888605       0.7502632     5.046983       0.9144086 
1 1 1 5  22 6  o 6.712511       0.6124278     6.671680       0.8193984     6.764188       0.9218292 
1 1 1 5  22 7  o -0.1879735     0.5300801     0.4052960      0.7307605     -0.8467984     0.7700767 
1 1 1 5  22 8  o 0.5717056      0.5200372     0.4773169      0.7312334     0.6683000      0.7397276 
1 1 1 5  22 9  o 1.278561       0.5298131     0.9680277      0.7425996     1.600505       0.7561211 
1 1 1 5  22 10 o 1.749694       0.4901566     1.130063       0.7229907     2.276733       0.6667876 
1 1 1 5  22 11 o -0.1316328     0.4896069     -0.6278615     0.7277021     0.2787844      0.6617981 
1 1 1 5  22 12 o 3.011628       0.4845213     2.458957       0.7219707     3.464522       0.6535588 
1 1 1 5  22 13 o 0.7961563      0.4858848     0.9232627      0.7203362     0.6900470      0.6581557 
1 1 1 5  22 14 o 0.9285952      0.4954257     0.3660203      0.7187815     1.437747       0.6838021 
1 1 1 5  22 15 o 0.4874544      0.4801555     -0.6684294E-01 0.7291301     0.9119008      0.6380358 
1 1 1 5  22 16 o 0.1314068      0.4939086     0.8692597      0.7297390     -0.4923379     0.6709438 
1 1 1 5  22 17 o -0.4803264     0.4731645     -0.6052419     0.7467680     -0.3965382     0.6116023 
1 1 1 5  22 18 o -0.2820829     0.4812505     -0.5146909     0.7598448     -0.1262750     0.6218811 
1 1 1 5  22 19 f 0.4870543      0.5053158     -0.5174261     0.8198047     1.102524       0.6417161 
1 1 1 5  22 20 o 1.161298       0.5271268     -0.4093924     0.8770376     2.049570       0.6595470 
1 1 1 5  22 21 o -0.1602605E-01 0.5132450     -1.002681      0.8215868     0.6154486      0.6572775 
1 1 1 5  22 22 o -0.1233425     0.5364063     -0.5415520     0.8493930     0.1540890      0.6918142 
1 1 1 5  22 23 o 0.9209796      0.5561565     0.5465487      0.9116004     1.142973       0.7019222 
1 1 1 5  22 24 o 1.985063       0.6075245     2.045845       0.9451236     1.942264       0.7930766 
1 1 1 5  22 25 o 2.768985       0.6844578     3.257555       1.164259      2.510944       0.8461173 
1 1 1 5  23 0  o 4.694438       0.7817450     4.694438       0.5527772     ?              ?         
1 1 1 5  23 1  o 0.4459703      0.5292899     0.8981475      0.7487403     -0.5696567E-02 0.7483178 
1 1 1 5  23 2  o -0.5589502     0.5315650     -0.7184422     0.7433097     -0.3920060     0.7604769 
1 1 1 5  23 3  o 1.017970       0.5362493     1.280332       0.7406721     0.7289417      0.7774025 
1 1 1 5  23 4  o 8.138074       0.5622881     7.423030       0.7596806     9.004434       0.8362075 
1 1 1 5  23 5  o 6.911017       0.5766085     6.905288       0.7473591     6.919445       0.9063388 
1 1 1 5  23 6  o 10.53310       0.6016868     10.62317       0.8050528     10.41911       0.9056257 
1 1 1 5  23 7  o 17.64946       0.6131377     17.80953       0.8666167     17.48902       0.8675993 
1 1 1 5  23 8  o 3.896074       0.5324500     3.902565       0.7421919     3.889190       0.7642904 
1 1 1 5  23 9  o 1.693649       0.5307389     1.722114       0.7528826     1.665530       0.7482949 
1 1 1 5  23 10 f 3.000618       0.5170518     3.166622       0.7245570     2.828364       0.7380736 
1 1 1 5  23 11 o 7.193262       0.5221107     6.101427       0.7863176     8.054233       0.6982541 
1 1 1 5  23 12 o 5.573705       0.5171054     5.822040       0.7847001     5.383083       0.6874973 
1 1 1 5  23 13 o 2.293325       0.5108901     2.022226       0.7720084     2.504555       0.6814510 
1 1 1 5  23 14 o 0.2515623      0.4820326     0.6830152      0.7072055     -0.1228080     0.6587636 
1 1 1 5  23 15 f 0.2322057      0.4842033     0.7366048      0.7387156     -0.1477416     0.6411384 
1 1 1 5  23 16 o 0.1093198      0.5019793     0.7130073      0.7670091     -0.3429851     0.6639114 
1 1 1 5  23 17 o 1.210133       0.4947273     1.173821       0.7900904     1.233553       0.6345178 
1 1 1 5  23 18 f 0.4577366      0.5024987     0.5487494      0.7866240     0.3949932      0.6531307 
1 1 1 5  23 19 f 2.041235       0.5205954     2.173599       0.7834195     1.936566       0.6966600 
1 1 1 5  23 20 o 0.5642431      0.5348884     2.041672       0.8710387     -0.3301672     0.6777234 
1 1 1 5  23 21 f 1.971112       0.5615292     1.507543       0.8669924     2.306087       0.7369955 
1 1 1 5  23 22 o 2.271874       0.5716192     2.614451       0.9206697     2.056977       0.7291890 
1 1 1 5  23 23 o 0.9630005      0.5793736     1.792035       0.9592369     0.4868614      0.7269533 
1 1 1 5  24 0  f 3.204726       0.7986920     3.204726       0.5647605     ?              ?         
1 1 1 5  24 1  f 1.481347       0.5549705     0.9131967      0.7721089     2.088601       0.7982367 
1 1 1 5  24 2  o 0.8862034      0.5385314     -0.3169585     0.7695124     2.041112       0.7539237 
1 1 1 5  24 3  f 1.938037       0.5556075     1.046924       0.7842985     2.835767       0.7872049 
1 1 1 5  24 4  o 5.378427       0.5706093     5.811007       0.7940720     4.916570       0.8205038 
1 1 1 5  24 5  f 5.971372       0.5615861     6.429481       0.7990678     5.524253       0.7894253 
1 1 1 5  24 6  o 4.474363       0.6049997     5.505843       0.8044333     3.131202       0.9179602 
1 1 1 5  24 7  o 2.987100       0.5551329     3.296326       0.7842208     2.676520       0.7859349 
1 1 1 5  24 8  o 4.931282       0.5523678     5.129642       0.7707203     4.721792       0.7920483 
1 1 1 5  24 9  o 3.036174       0.5394931     3.232812       0.7597421     2.836171       0.7662160 
1 1 1 5  24 10 o 3.073455       0.5487265     2.593426       0.7860172     3.529807       0.7663879 
1 1 1 5  24 11 o 0.4302949      0.5267113     0.3326619      0.7540368     0.5233263      0.7360533 
1 1 1 5  24 12 f 1.166108       0.5299972     2.051897       0.7652329     0.3494743      0.7347541 
1 1 1 5  24 13 o 0.8786458      0.5204089     -0.2741057E-01 0.7916744     1.568073       0.6905788 
1 1 1 5  24 14 o 0.7279185      0.5137770     0.1456905      0.7794021     1.175338       0.6832386 
1 1 1 5  24 15 f 2.674252       0.5367694     2.471514       0.8032111     2.837862       0.7215511 
1 1 1 5  24 16 o 0.7548001      0.5239536     1.551966       0.7742898     0.8142925E-01  0.7116336 
1 1 1 5  24 17 o 0.9242277      0.5268876     0.1703502      0.8096644     1.477969       0.6939180 
1 1 1 5  24 18 o 1.999820       0.5444399     2.313956       0.8624456     1.791695       0.7019963 
1 1 1 5  24 19 o 1.286174       0.5474690     0.9567944      0.8731384     1.499559       0.7027763 
1 1 1 5  24 20 o 0.4470804      0.5674555     0.3796838      0.8515805     0.5009073      0.7610375 
1 1 1 5  24 21 o 0.5227726      0.5818183     -0.1603647     0.9420658     0.9440127      0.7397622 
1 1 1 5  24 22 o 0.2234697      0.5859387     1.146478       0.9699597     -0.3068939     0.7352546 
1 1 1 5  25 0  o 0.8958139      0.7672808     0.8958139      0.5425495     ?              ?         
1 1 1 5  25 1  o 0.6142027      0.5599959     0.3314454      0.8009787     0.8845658      0.7832273 
1 1 1 5  25 2  o 4.020147       0.5817972     4.631885       0.8159196     3.387377       0.8298276 
1 1 1 5  25 3  o 16.54822       0.6437918     16.91068       0.9048594     16.17664       0.9161640 
1 1 1 5  25 4  o 17.48059       0.6358500     16.22466       0.8900830     18.78949       0.9086601 
1 1 1 5  25 5  o 13.13368       0.6246220     13.34394       0.8714629     12.91155       0.8957350 
1 1 1 5  25 6  o 5.923645       0.5665004     5.325056       0.8123007     6.490464       0.7904510 
1 1 1 5  25 7  o 0.4095218      0.5641218     0.2233537      0.8030621     0.5908789      0.7926178 
1 1 1 5  25 9  o -0.2089076     0.5774030     -0.2884240     0.7939876     -0.1196538     0.8411984 
1 1 1 5  25 10 o 2.355196       0.5717202     2.381795       0.8121659     2.329069       0.8049513 
1 1 1 5  25 11 o 4.311402       0.5724950     4.263600       0.8189832     4.357080       0.8005906 
1 1 1 5  25 12 f 4.653290       0.5730582     3.760905       0.8189141     5.509614       0.8021979 
1 1 1 5  25 13 o -0.3277681     0.5644264     -1.063318      0.8122334     0.3591203      0.7849066 
1 1 1 5  25 14 o 1.133740       0.5359521     0.6087255      0.8058501     1.550164       0.7176888 
1 1 1 5  25 15 o -0.5572340     0.5383554     -1.602363      0.8227538     0.2252724      0.7119162 
1 1 1 5  25 16 f 0.8733368      0.5563426     0.3196111      0.8499276     1.288460       0.7359071 
1 1 1 5  25 17 o 0.1144601      0.5648153     0.4258976      0.8722854     -0.1103904     0.7411739 
1 1 1 5  25 18 o -0.3962263     0.5650358     -0.4988452     0.8811072     -0.3245489     0.7363876 
1 1 1 5  25 19 o 1.322651       0.5755161     0.9462939      0.8850662     1.598365       0.7575385 
1 1 1 5  25 20 f 2.146313       0.5744476     2.242938       0.8839323     2.075668       0.7558132 
1 1 1 5  26 0  o 0.5947412      0.8087057     0.5947412      0.5718413     ?              ?         
1 1 1 5  26 1  o 1.013436       0.5720446     1.118877       0.7882931     0.8961441      0.8314146 
1 1 1 5  26 2  o 5.071269       0.5773920     4.372188       0.8212669     5.754535       0.8119246 
1 1 1 5  26 3  o 7.453753       0.6192995     7.664092       0.8618703     7.229221       0.8904732 
1 1 1 5  26 4  o 3.858083       0.6060864     2.740464       0.8557334     4.983058       0.8585448 
1 1 1 5  26 5  o 0.8047818      0.5807032     0.3381348      0.8150051     1.285982       0.8276168 
1 1 1 5  26 6  o 2.309933       0.5739036     2.731682       0.8031961     1.870011       0.8203192 
1 1 1 5  26 7  o 2.318747       0.5811120     1.944039       0.8248797     2.687940       0.8187870 
1 1 1 5  26 8  o 1.724623       0.5990189     1.673908       0.8389035     1.777380       0.8556252 
1 1 1 5  26 9  o 3.163056       0.5939965     3.021972       0.8522759     3.296318       0.8283124 
1 1 1 5  26 10 o 4.696945       0.6200216     4.336956       0.9065852     5.013285       0.8498481 
1 1 1 5  26 11 o 2.593864       0.6028043     3.331221       0.8748854     1.927442       0.8317383 
1 1 1 5  26 12 o 1.099224       0.5925835     1.838937       0.8639916     0.4421623      0.8142939 
1 1 1 5  26 13 o 2.068684       0.5896799     2.338816       0.8634276     1.832549       0.8072687 
1 1 1 5  26 14 o 0.1251307      0.5903028     0.4152154      0.8564590     -0.1373762     0.8147317 
1 1 1 5  26 15 o 0.8368468      0.5602855     0.9994837      0.8452417     0.7093730      0.7483101 
1 1 1 5  26 16 o 0.2121768      0.5666946     0.4217135      0.8790455     0.6316348E-01  0.7412999 
1 1 1 5  26 17 o -0.6046299     0.5776108     -1.375851      0.8813022     -0.2388207E-01 0.7647671 
1 1 1 5  26 18 o -0.7328679E-01 0.5777811     -0.2364604     0.9001327     0.4105307E-01  0.7534952 
1 1 1 5  27 0  o 1.027547       0.8995944     1.027547       0.6361093     ?              ?         
1 1 1 5  27 1  o 3.519761       0.6015229     3.998232       0.8595927     3.060629       0.8420423 
1 1 1 5  27 2  o 11.96460       0.6617570     13.80022       0.9329531     10.10587       0.9388058 
1 1 1 5  27 3  o 7.993124       0.6315643     8.496373       0.8899580     7.482553       0.8964105 
1 1 1 5  27 4  o 3.551258       0.6304879     3.920281       0.8886957     3.177296       0.8946228 
1 1 1 5  27 5  o 1.477144       0.5927008     1.330165       0.8411331     1.622096       0.8353081 
1 1 1 5  27 6  o 2.100328       0.5785040     2.992871       0.8837147     1.431015       0.7652659 
1 1 1 5  27 7  o -0.6765932     0.6185179     -0.4934982     0.8762052     -0.8584492     0.8732352 
1 1 1 5  27 8  o 1.388717       0.6529598     0.6588905      0.9247733     2.114302       0.9220818 
1 1 1 5  27 9  o 2.046686       0.6295856     3.195198       0.8916362     0.9046827      0.8891063 
1 1 1 5  27 10 o 0.6344262      0.6113884     1.238005       0.8746517     0.5772941E-01  0.8549525 
1 1 1 5  27 11 o 0.9104632      0.6066848     0.6211789      0.8366957     1.231180       0.8809800 
1 1 1 5  27 12 o 0.7506186      0.6081386     0.1230332      0.8705440     1.348796       0.8499031 
1 1 1 5  27 13 o 0.6825147E-01  0.6224819     0.3154663      0.9049652     -0.1537568     0.8575890 
1 1 1 5  27 14 o 0.7379983      0.6213845     0.8093545      0.8912016     0.6704891      0.8668454 
1 1 1 5  27 15 o 0.8692280      0.6117163     1.570097       0.8912434     0.2449681      0.8411253 
1 1 1 5  27 16 o -0.3517080E-01 0.6211476     0.9335160      0.9040784     -0.9012515     0.8548573 
1 1 1 5  28 0  o 0.4522222      0.8778898     0.4522222      0.6207618     ?              ?         
1 1 1 5  28 1  o -0.8467752E-01 0.6545526     -0.6498640E-01 0.9291514     -0.1040769     0.9222417 
1 1 1 5  28 2  o 0.5623770      0.6127439     -0.4004212     0.8639966     1.536645       0.8691276 
1 1 1 5  28 3  o 3.495662       0.6659219     4.477747       0.9328145     2.474999       0.9509593 
1 1 1 5  28 4  o 6.378212       0.6742278     6.123580       0.9523657     6.634063       0.9546425 
1 1 1 5  28 5  o 7.585240       0.6085802     7.469609       0.9056219     7.680457       0.8217962 
1 1 1 5  28 6  o 7.048669       0.6328155     6.511282       0.9279194     7.515905       0.8652375 
1 1 1 5  28 7  o 5.884725       0.6718685     6.421387       0.9412028     5.327122       0.9593894 
1 1 1 5  28 8  o 1.680838       0.6482909     0.9813231      0.9226022     2.363092       0.9111487 
1 1 1 5  28 9  o -0.1613010     0.6367161     0.4943430E-01  0.8917229     -0.3804951     0.9094436 
1 1 1 5  28 10 o 0.3294853      0.6381724     0.5734462      0.9132648     0.9668496E-01  0.8921306 
1 1 1 5  28 11 o 0.3896221      0.6303828     0.7300224      0.9206843     0.8920912E-01  0.8649184 
1 1 1 5  28 12 f -0.6937894     0.6326676     -0.5728756     0.9035552     -0.8100906     0.8861529 
1 1 1 5  28 13 o 0.9091296      0.6068211     0.6521033      0.8625167     1.161044       0.8538975 
1 1 1 5  29 0  o 5.936586       1.006393      5.936586       0.7116270     ?              ?         
1 1 1 5  29 1  o 4.047187       0.6716413     3.256711       0.9619575     4.799064       0.9381775 
1 1 1 5  29 2  o 2.171773       0.6748533     1.829370       0.9402715     2.535537       0.9691573 
1 1 1 5  29 3  o 1.659415       0.7126181     1.494353       1.020887      1.816272       0.9951922 
1 1 1 5  29 4  o 0.3271855      0.6549809     -0.2903680     0.9399436     0.9100984      0.9132009 
1 1 1 5  29 5  o 2.316893       0.6251450     1.131559       0.9218385     3.326165       0.8506262 
1 1 1 5  29 6  f 1.180777       0.6297727     1.203069       0.9446743     1.162944       0.8449180 
1 1 1 5  29 7  o 0.5420427      0.6313686     0.7019039      0.9509690     0.4160333      0.8442986 
1 1 1 5  29 8  o 0.3902232      0.6519361     -0.3995651     0.9137108     1.209252       0.9304715 
1 1 1 5  29 9  o 0.5921996      0.6636395     -0.4158629E-01 0.9359567     1.232999       0.9411207 
1 1 1 5  30 0  o -0.1889580     0.9822524     -0.1889580     0.6945573     ?              ?         
1 1 1 5  30 1  o 1.176168       0.7052927     1.175595       0.9927468     1.176752       1.002189  
1 1 1 5  30 2  f 1.549447       0.7010109     1.552310       0.9852567     1.546513       0.9976171 
1 1 1 6  0  0  o 338.5261       5.273404      338.5261       3.728859      ?              ?         
1 1 1 6  0  1  o 4.578924       0.2137789     4.578924       0.1511645     ?              ?         
1 1 1 6  0  2  f 225.4413       2.632560      225.4413       1.861501      ?              ?         
1 1 1 6  0  3  o 8.569741       0.2535631     8.569741       0.1792962     ?              ?         
1 1 1 6  0  4  o 89.20091       1.157025      89.20091       0.8181401     ?              ?         
1 1 1 6  0  5  f 0.9837049      0.1422424     0.9837049      0.1005806     ?              ?         
1 1 1 6  0  6  o 56.80022       0.8053629     56.80022       0.5694776     ?              ?         
1 1 1 6  0  7  o 21.52892       0.3917740     21.52892       0.2770261     ?              ?         
1 1 1 6  0  8  o 41.02702       0.6872810     41.02702       0.4859810     ?              ?         
1 1 1 6  0  9  o 0.9000411      0.2060644     0.9000411      0.1457096     ?              ?         
1 1 1 6  0  10 o 146.9088       1.984941      146.9088       1.403565      ?              ?         
1 1 1 6  0  11 o 14.47042       0.3968243     14.47042       0.2805971     ?              ?         
1 1 1 6  0  12 o 152.6943       2.176322      152.6943       1.538892      ?              ?         
1 1 1 6  0  13 o 66.27457       1.095203      66.27457       0.7744253     ?              ?         
1 1 1 6  0  14 o 23.89674       0.5704724     23.89674       0.4033849     ?              ?         
1 1 1 6  0  15 o 175.6324       2.565679      175.6324       1.814209      ?              ?         
1 1 1 6  0  16 o 84.64270       1.398683      84.64270       0.9890184     ?              ?         
1 1 1 6  0  17 o 6.805050       0.4829545     6.805050       0.3415004     ?              ?         
1 1 1 6  0  18 o 10.97762       0.5599086     10.97762       0.3959152     ?              ?         
1 1 1 6  0  19 f 7.734961       0.5580507     7.734961       0.3946014     ?              ?         
1 1 1 6  0  20 o 2.505152       0.5534527     2.505152       0.3913502     ?              ?         
1 1 1 6  0  21 o 0.1165464      0.5836110     0.1165464      0.4126753     ?              ?         
1 1 1 6  0  22 o 0.1623189      0.6263495     0.1623189      0.4428960     ?              ?         
1 1 1 6  0  23 o -0.7500736     0.6710231     -0.7500736     0.4744850     ?              ?         
1 1 1 6  0  24 o 0.5887632      0.6883106     0.5887632      0.4867091     ?              ?         
1 1 1 6  0  25 o 0.2862320      0.6940889     0.2862320      0.4907950     ?              ?         
1 1 1 6  0  26 o 10.89916       0.7273043     10.89916       0.5142818     ?              ?         
1 1 1 6  0  27 o 0.3703583      0.6403862     0.3703583      0.4528214     ?              ?         
1 1 1 6  0  28 o 0.3120541      0.6661150     0.3120541      0.4710144     ?              ?         
1 1 1 6  0  29 o 0.9471060      0.6676102     0.9471060      0.4720717     ?              ?         
1 1 1 6  0  30 o 1.293455       0.6991030     1.293455       0.4943405     ?              ?         
1 1 1 6  0  31 o -0.1367412     0.7100555     -0.1367412     0.5020850     ?              ?         
1 1 1 6  0  32 f 0.9214301      0.7521376     0.9214301      0.5318416     ?              ?         
1 1 1 6  0  33 o 0.6436291      0.7679726     0.6436291      0.5430386     ?              ?         
1 1 1 6  0  34 o 0.2762630      0.7787583     0.2762630      0.5506653     ?              ?         
1 1 1 6  0  35 o -0.6585640     0.8005790     -0.6585640     0.5660949     ?              ?         
1 1 1 6  0  36 o 1.511554       0.8380681     1.511554       0.5926036     ?              ?         
1 1 1 6  1  0  o 367.9531       4.033287      367.9531       2.851964      ?              ?         
1 1 1 6  1  1  o 109.4573       1.054594      111.3589       1.506368      107.6293       1.476909  
1 1 1 6  1  2  f 76.68160       0.7570941     74.33492       1.021978      79.53593       1.127111  
1 1 1 6  1  3  o 225.9328       1.811907      229.8456       2.538733      221.8703       2.586790  
1 1 1 6  1  4  o 128.8786       1.116502      134.9720       1.617725      123.3360       1.542877  
1 1 1 6  1  5  o 54.41282       0.5308546     54.45198       0.7752227     54.37825       0.7284428 
1 1 1 6  1  6  o 727.1099       5.117535      726.5333       7.245573      727.6838       7.229029  
1 1 1 6  1  7  o 63.42785       0.6637507     62.92522       0.8816563     64.08540       1.008437  
1 1 1 6  1  8  f 244.6070       2.079374      240.1905       2.666193      251.4644       3.322219  
1 1 1 6  1  9  o 16.39855       0.2835621     15.82587       0.3780324     17.13530       0.4287789 
1 1 1 6  1  10 o 46.23034       0.5561975     45.13267       0.7768607     47.38473       0.7966778 
1 1 1 6  1  11 o 4.485102       0.2019548     4.508025       0.2817606     4.460884       0.2896158 
1 1 1 6  1  12 o 198.5868       1.898099      196.8564       2.670672      200.3530       2.698173  
1 1 1 6  1  13 o 25.55341       0.4095329     26.26178       0.5806983     24.85246       0.5776477 
1 1 1 6  1  14 o 127.8394       1.353458      123.5186       1.898739      132.3028       1.929797  
1 1 1 6  1  15 o 325.7521       3.052675      327.6299       4.323133      323.8847       4.311161  
1 1 1 6  1  16 o 178.4936       1.859022      179.7900       2.630195      177.1995       2.627915  
1 1 1 6  1  17 o 48.82814       0.6713029     48.06003       0.9441981     49.61330       0.9546189 
1 1 1 6  1  18 o 35.55009       0.5789702     34.65571       0.8132415     36.46928       0.8244485 
1 1 1 6  1  19 o 15.84829       0.4451027     15.99208       0.6284067     15.70352       0.6305391 
1 1 1 6  1  20 o 37.99928       0.6324098     36.82933       0.8876225     39.20546       0.9012585 
1 1 1 6  1  21 o 30.08060       0.5925802     29.64292       0.8344584     30.52586       0.8416578 
1 1 1 6  1  22 o 78.07506       1.034589      77.81232       1.459224      78.34064       1.467066  
1 1 1 6  1  23 o 28.22894       0.6332580     28.44246       0.8979379     28.01767       0.8932050 
1 1 1 6  1  24 o -0.9684541E-01 0.4866844     -0.6444953E-01 0.6876247     -0.1293643     0.6889284 
1 1 1 6  1  25 o 3.023840       0.4799086     2.258887       0.6790581     3.787151       0.6783291 
1 1 1 6  1  26 o 7.528984       0.4942618     7.209217       0.6929683     7.860116       0.7051751 
1 1 1 6  1  27 o 2.152662       0.4745397     2.290427       0.6660817     2.010665       0.6762344 
1 1 1 6  1  28 o 0.6090047      0.4670253     -0.1616669     0.6584960     1.389004       0.6624690 
1 1 1 6  1  29 o 0.4057151      0.4789912     0.8939776E-01  0.6743581     0.7277969      0.6804750 
1 1 1 6  1  30 o 0.2655880      0.4898266     -0.8760516     0.6862807     1.451100       0.6993430 
1 1 1 6  1  31 o 0.6487444      0.5074297     0.7155504      0.7138112     0.5804956      0.7214782 
1 1 1 6  1  32 o 0.5637593E-01  0.5242826     0.4249359      0.7402398     -0.3145992     0.7426612 
1 1 1 6  1  33 f 0.3145466      0.5355511     -0.7519951E-02 0.7575192     0.6363828      0.7572483 
1 1 1 6  1  34 o -0.1489317     0.5653480     0.4394731E-01  0.7943694     -0.3468983     0.8047777 
1 1 1 6  1  35 o -0.4691276     0.5810376     -0.3894660     0.8137057     -0.5520031     0.8299578 
1 1 1 6  1  36 f 0.4200072      0.5817809     0.7157894      0.8296070     0.1337887      0.8160847 
1 1 1 6  2  0  o 119.1747       1.578526      119.1747       1.116187      ?              ?         
1 1 1 6  2  1  o 77.09608       0.7772853     79.31212       1.072183      74.64127       1.128471  
1 1 1 6  2  2  o 499.0192       3.541098      503.1561       4.999753      494.8553       5.016023  
1 1 1 6  2  3  f 133.5686       1.183578      134.3093       1.683609      132.8449       1.664223  
1 1 1 6  2  4  f 86.51901       0.8214998     85.59515       1.169532      87.41878       1.154172  
1 1 1 6  2  5  f 202.7340       1.669108      198.6007       2.308960      207.2580       2.415600  
1 1 1 6  2  6  o 65.34943       0.7043553     65.39412       0.9427599     65.29295       1.059677  
1 1 1 6  2  7  o 42.60042       0.5829362     43.28885       0.8722122     42.04467       0.7836701 
1 1 1 6  2  8  o 133.5697       1.562159      134.1059       2.210800      133.0351       2.207655  
1 1 1 6  2  9  f 9.207106       0.3032482     9.436495       0.4355631     8.991318       0.4224528 
1 1 1 6  2  10 o 1.524465       0.1515835     1.674544       0.1869901     1.236799       0.2588820 
1 1 1 6  2  11 o 157.1836       1.506078      151.6249       2.084776      163.2513       2.178122  
1 1 1 6  2  12 o 115.2810       1.202808      116.8307       1.699855      113.7270       1.702201  
1 1 1 6  2  13 o 25.31827       0.4064613     26.36568       0.5795528     24.30436       0.5702072 
1 1 1 6  2  14 o 317.7285       2.895925      316.3460       4.089489      319.1191       4.101450  
1 1 1 6  2  15 o 207.3908       2.055328      205.2034       2.889394      209.6314       2.924266  
1 1 1 6  2  16 o 5.935333       0.3042259     5.886832       0.4240539     5.986771       0.4367058 
1 1 1 6  2  17 f 22.92836       0.4539214     22.73972       0.6378236     23.12196       0.6461408 
1 1 1 6  2  18 o 77.14555       0.9528348     78.18018       1.352039      76.12465       1.343030  
1 1 1 6  2  19 o 8.330984       0.3946688     8.096928       0.5497750     8.579859       0.5669114 
1 1 1 6  2  20 o 32.29718       0.6296926     33.16581       0.8668967     31.32697       0.9161859 
1 1 1 6  2  21 o 31.20552       0.6430917     30.74268       0.9137461     31.65979       0.9052516 
1 1 1 6  2  22 o 28.55450       0.6092127     27.73954       0.8488634     29.42010       0.8748373 
1 1 1 6  2  23 o 14.74738       0.5407448     14.82668       0.7556676     14.66417       0.7741237 
1 1 1 6  2  24 o 8.653760       0.5121745     8.506002       0.7114337     8.812734       0.7379417 
1 1 1 6  2  25 o 0.7609706      0.4747221     0.7859882      0.6529619     0.7329206      0.6914032 
1 1 1 6  2  26 o -0.7622366     0.4560854     -0.5505105     0.6460726     -0.9725652     0.6439369 
1 1 1 6  2  27 o -0.1117269     0.4602402     1.475353       0.6515364     -1.692408      0.6502216 
1 1 1 6  2  28 o 3.003194       0.4709452     2.993722       0.6700930     3.012439       0.6620147 
1 1 1 6  2  29 f 2.737854       0.4723053     2.886469       0.6707810     2.591729       0.6651360 
1 1 1 6  2  30 o 2.436570       0.4942618     2.060619       0.7038501     2.802317       0.6942326 
1 1 1 6  2  31 o 1.594731       0.5138280     2.215551       0.7232757     0.9621459      0.7300974 
1 1 1 6  2  32 o 0.7046340      0.5181952     0.2001649      0.7311721     1.213729       0.7345165 
1 1 1 6  2  33 o 0.7816256      0.5433930     1.143398       0.7716365     0.4257247      0.7653495 
1 1 1 6  2  34 o 0.4883430      0.5547032     0.7145005      0.7909994     0.2695032      0.7780972 
1 1 1 6  2  35 f 0.2408599      0.5744162     -0.4859210     0.7985051     1.020314       0.8269348 
1 1 1 6  2  36 o 0.5636048      0.5893979     0.8748764      0.8295337     0.2462551      0.8375937 
1 1 1 6  3  0  o 13.05439       0.3182533     13.05439       0.2250391     ?              ?         
1 1 1 6  3  1  o 783.1357       5.209824      780.5792       7.453841      785.5776       7.284677  
1 1 1 6  3  2  o 65.38869       0.6685404     63.86333       0.9424193     66.93389       0.9485281 
1 1 1 6  3  3  o 504.6114       3.641690      502.2872       5.122208      506.9869       5.178507  
1 1 1 6  3  4  o 86.75896       0.8357857     88.39843       1.189466      85.16013       1.174632  
1 1 1 6  3  5  o 107.9398       1.024532      109.6512       1.509174      106.4769       1.395327  
1 1 1 6  3  6  o 513.6277       3.843534      509.5591       5.510050      517.4835       5.364045  
1 1 1 6  3  7  o 28.66620       0.4003600     27.78244       0.5227945     29.91951       0.6225763 
1 1 1 6  3  8  o 192.5586       2.140462      189.0114       3.026122      196.1102       3.028019  
1 1 1 6  3  9  o 252.4424       2.343349      248.6638       3.147600      257.1411       3.509919  
1 1 1 6  3  10 o 222.6294       1.940854      220.2201       2.657320      225.3844       2.841490  
1 1 1 6  3  11 o 26.32565       0.3709262     26.87495       0.5015309     25.66239       0.5511041 
1 1 1 6  3  12 o 140.1696       1.405457      138.3836       1.965277      142.0391       2.010735  
1 1 1 6  3  13 o 29.66396       0.4459831     29.79033       0.6287722     29.53602       0.6326767 
1 1 1 6  3  14 o 25.83603       0.4240695     25.63105       0.5964080     26.04562       0.6030977 
1 1 1 6  3  15 o 132.5477       1.426449      134.6205       2.020150      130.4866       2.014468  
1 1 1 6  3  16 o 43.83547       0.6109875     43.50657       0.8589833     44.17227       0.8692417 
1 1 1 6  3  17 f 11.73786       0.3688231     11.91483       0.5123736     11.54756       0.5313321 
1 1 1 6  3  18 o 11.30154       0.3872707     10.44714       0.5415623     12.19569       0.5540170 
1 1 1 6  3  19 o 11.29587       0.4066288     12.25624       0.5825167     10.38313       0.5678823 
1 1 1 6  3  20 o 1.091946       0.3825437     1.037386       0.5363665     1.148431       0.5457528 
1 1 1 6  3  21 o 21.99633       0.5262971     22.19391       0.7403400     21.79447       0.7483171 
1 1 1 6  3  22 o 18.79771       0.5297623     18.77688       0.7398080     18.81964       0.7589530 
1 1 1 6  3  23 o 29.57688       0.6251730     29.35349       0.8751576     29.80967       0.8933802 
1 1 1 6  3  24 f 7.595530       0.4971777     7.439266       0.6930544     7.761209       0.7136278 
1 1 1 6  3  25 o 5.890447       0.4951497     5.354672       0.6931874     6.448620       0.7075276 
1 1 1 6  3  26 o 14.44101       0.5280134     14.90649       0.7351332     13.94497       0.7588803 
1 1 1 6  3  27 o 2.587854       0.4579236     3.011737       0.6417448     2.148135       0.6536220 
1 1 1 6  3  28 o 1.590372       0.4653357     1.310594       0.6726511     1.847162       0.6444241 
1 1 1 6  3  29 o 0.2585366      0.4669397     0.3181566E-01  0.6532169     0.4954419      0.6677271 
1 1 1 6  3  30 o 0.1823749E-01  0.4888992     0.3907317      0.6924192     -0.3520883     0.6904009 
1 1 1 6  3  31 o 0.3356014      0.5027729     0.5105780      0.7023658     0.1517186      0.7200192 
1 1 1 6  3  32 o 0.3238073      0.5084130     0.7362823      0.7272329     -0.7051377E-01 0.7110492 
1 1 1 6  3  33 o -0.1550829     0.5315337     -0.8729525     0.7500215     0.5692574      0.7533942 
1 1 1 6  3  34 f 0.8368760      0.5612170     0.2794455      0.7882420     1.409961       0.7992335 
1 1 1 6  3  35 o 0.7888310      0.5711181     0.6546172      0.7996633     0.9285671      0.8159490 
1 1 1 6  3  36 o 0.4102827      0.5857694     0.3597395      0.8303255     0.4603606      0.8264937 
1 1 1 6  4  0  o 24.88736       0.4432427     24.88736       0.3134199     ?              ?         
1 1 1 6  4  1  o 66.09016       0.6533977     65.35223       0.9226022     66.83273       0.9254923 
1 1 1 6  4  2  o 189.2162       1.595675      184.6513       2.287138      193.5453       2.227304  
1 1 1 6  4  3  o 218.7880       1.794288      222.1618       2.593685      215.6915       2.484827  
1 1 1 6  4  4  o 18.33723       0.2759918     17.90426       0.3898943     18.77205       0.3907297 
1 1 1 6  4  5  o 169.7735       1.532970      166.6558       2.232074      172.5570       2.109049  
1 1 1 6  4  6  o 48.30895       0.5553247     48.24006       0.8114120     48.36965       0.7616439 
1 1 1 6  4  7  o 11.61540       0.2419586     11.01678       0.3370458     12.25194       0.3475586 
1 1 1 6  4  8  o 203.7570       1.840898      201.6193       2.657873      205.7281       2.552189  
1 1 1 6  4  9  o 11.33240       0.2607239     11.41384       0.3535149     11.23527       0.3860708 
1 1 1 6  4  10 o 9.059675       0.2146655     8.823963       0.2860706     9.363461       0.3247629 
1 1 1 6  4  11 o 101.6202       1.057221      100.0853       1.409838      103.5923       1.598061  
1 1 1 6  4  12 o 29.55877       0.4198274     27.90430       0.5634630     31.62346       0.6294545 
1 1 1 6  4  13 o 10.76531       0.2697867     10.70527       0.3575505     10.84467       0.4111023 
1 1 1 6  4  14 o 127.5091       1.360847      129.4330       1.932207      125.6155       1.916940  
1 1 1 6  4  15 o 15.82666       0.3587901     14.77269       0.5013610     16.93305       0.5136747 
1 1 1 6  4  16 f 14.60450       0.3723420     14.89467       0.5237259     14.30793       0.5294632 
1 1 1 6  4  17 o 82.67398       0.9992515     82.07014       1.407774      83.28715       1.418598  
1 1 1 6  4  18 o 21.37682       0.4694713     20.48698       0.6498469     22.34822       0.6789760 
1 1 1 6  4  19 o 3.098631       0.3593042     2.884604       0.4852108     3.358489       0.5346444 
1 1 1 6  4  20 o 17.22942       0.4876806     18.34848       0.6734277     15.99539       0.7071784 
1 1 1 6  4  21 o 20.79549       0.5329089     21.20481       0.7395780     20.35347       0.7685508 
1 1 1 6  4  22 o 10.61497       0.4905146     10.73469       0.6807541     10.48570       0.7073976 
1 1 1 6  4  23 f 0.9526047      0.4548554     0.3623775      0.6214097     1.633830       0.6675959 
1 1 1 6  4  24 o 4.968638       0.4779207     4.866154       0.6542901     5.085863       0.6997627 
1 1 1 6  4  25 o 0.5078515      0.4649917     1.462820       0.6424353     -0.5429102     0.6738868 
1 1 1 6  4  26 o 4.243619       0.4698401     3.635843       0.6493149     4.911578       0.6807045 
1 1 1 6  4  27 f 0.9159423      0.4561830     1.328447       0.6459396     0.5054737      0.6443437 
1 1 1 6  4  28 o -0.3309096     0.4619961     -0.7629155     0.6470321     0.1184227      0.6598797 
1 1 1 6  4  29 o 2.034390       0.4617471     2.195008       0.6366987     1.856190       0.6706407 
1 1 1 6  4  30 o 0.3166204      0.4883623     0.5366011      0.6675135     0.6326050E-01  0.7163690 
1 1 1 6  4  31 o 0.1660634      0.5042171     0.7060533      0.6961884     -0.4296762     0.7312438 
1 1 1 6  4  32 o 1.841662       0.5296841     1.560214       0.7337272     2.147976       0.7654525 
1 1 1 6  4  33 f 0.6322243      0.5377082     0.8166704      0.7459091     0.4326775      0.7758424 
1 1 1 6  4  34 o -0.1914265E-02 0.5529380     0.4960478      0.7709994     -0.5292690     0.7934276 
1 1 1 6  4  35 o -0.4190948     0.5792124     -0.1448605     0.8060863     -0.7118263     0.8328281 
1 1 1 6  4  36 o 0.5614185E-01  0.6717694     0.1738194      0.9776928     -0.4909775E-01 0.9245814 
1 1 1 6  5  0  o 174.0976       2.112383      174.0976       1.493680      ?              ?         
1 1 1 6  5  1  f 34.12115       0.4016783     34.68212       0.5729063     33.57878       0.5633326 
1 1 1 6  5  2  o 123.9559       1.124031      125.9637       1.595903      121.9793       1.583411  
1 1 1 6  5  3  o 202.0335       1.734386      196.0537       2.481145      207.7475       2.425391  
1 1 1 6  5  4  o 57.15528       0.6276887     58.73225       0.9552219     55.95687       0.8327079 
1 1 1 6  5  5  o 38.58828       0.4635824     40.58661       0.7095659     37.10007       0.6123365 
1 1 1 6  5  6  o 5.913327       0.2077053     5.739288       0.3135715     6.049382       0.2772498 
1 1 1 6  5  7  f 93.79790       0.9955313     92.02487       1.402691      95.59749       1.413155  
1 1 1 6  5  8  o 61.11132       0.6790823     61.61895       1.002358      60.68065       0.9232475 
1 1 1 6  5  9  o 76.55718       0.8202509     75.65898       1.210168      77.32050       1.115612  
1 1 1 6  5  10 o 152.0152       1.497541      149.8373       2.139096      154.1086       2.097210  
1 1 1 6  5  11 o 86.80878       0.9230306     86.53423       1.273166      87.11297       1.340132  
1 1 1 6  5  12 f 128.1098       1.288925      126.5260       1.768273      129.9053       1.882736  
1 1 1 6  5  13 o 77.36605       0.8601492     76.74261       1.177034      78.08056       1.260076  
1 1 1 6  5  14 o 44.91150       0.6479703     44.40072       0.9032986     45.45296       0.9300225 
1 1 1 6  5  15 o 214.2091       2.084736      214.5315       2.868395      213.8482       3.035194  
1 1 1 6  5  16 o 58.96486       0.7429175     58.75230       1.015851      59.20926       1.089275  
1 1 1 6  5  17 o 53.21286       0.7342798     53.14930       1.036457      53.27691       1.040411  
1 1 1 6  5  18 o 44.40948       0.6683393     43.52094       0.9434257     45.30463       0.9469330 
1 1 1 6  5  19 o 51.62866       0.7476067     50.62291       1.057025      52.63536       1.057526  
1 1 1 6  5  20 f 50.59267       0.7617739     51.42961       1.086942      49.78475       1.067932  
1 1 1 6  5  21 o 2.307408       0.4321224     2.040536       0.5957872     2.603622       0.6276866 
1 1 1 6  5  22 f 41.86093       0.7285053     42.35940       1.035380      41.37220       1.025219  
1 1 1 6  5  23 o 2.730846       0.4699830     2.320520       0.6424625     3.203211       0.6893216 
1 1 1 6  5  24 o 8.569839       0.4984739     8.759127       0.6911898     8.364695       0.7195629 
1 1 1 6  5  25 o 8.473012       0.4856510     8.035911       0.6710086     8.953866       0.7037920 
1 1 1 6  5  26 o 0.3936138      0.4468785     0.5439576      0.6157497     0.2263016      0.6495690 
1 1 1 6  5  27 o 4.435909       0.4602791     4.561194       0.6398675     4.301567       0.6625930 
1 1 1 6  5  28 o 0.3848152      0.4598003     0.8080139      0.6265875     -0.1089669     0.6768263 
1 1 1 6  5  29 o 2.664412       0.4702314     2.805845       0.6459685     2.504983       0.6858360 
1 1 1 6  5  30 o 1.779259       0.4796747     0.7926530      0.6548154     2.921741       0.7046472 
1 1 1 6  5  31 o 3.146875       0.4965715     3.134669       0.6869276     3.160234       0.7186632 
1 1 1 6  5  32 o 1.387914       0.5234740     1.519631       0.7142910     1.235095       0.7693831 
1 1 1 6  5  33 o 1.074553       0.5563422     0.9297674      0.7307503     1.274186       0.8580701 
1 1 1 6  5  34 o 0.5420535      0.5531819     -0.6001222     0.7599974     1.829004       0.8067268 
1 1 1 6  5  35 o -0.8912334     0.5823014     -0.3554958     0.8015221     -1.490038      0.8473877 
1 1 1 6  6  0  o 31.83035       0.5599988     31.83035       0.3959789     ?              ?         
1 1 1 6  6  1  o 64.66562       0.6679764     64.07904       0.9427754     65.25692       0.9465585 
1 1 1 6  6  2  o 85.48813       0.8372195     84.66888       1.182268      86.31221       1.185754  
1 1 1 6  6  3  o 12.54713       0.2486797     13.21429       0.3558452     11.91026       0.3476698 
1 1 1 6  6  4  o 162.3882       1.507751      165.4666       2.273435      159.9711       2.014529  
1 1 1 6  6  5  o 104.8527       1.046384      103.3390       1.558735      106.0945       1.411776  
1 1 1 6  6  6  o 151.7068       1.434713      153.2028       2.146950      150.4997       1.928556  
1 1 1 6  6  7  o 60.52535       0.6967059     61.40031       1.017740      59.75372       0.9557597 
1 1 1 6  6  8  f 19.40545       0.3307419     18.96707       0.4948794     19.75931       0.4446253 
1 1 1 6  6  9  o 46.37001       0.5690528     45.79636       0.8421096     46.85209       0.7719803 
1 1 1 6  6  10 o 75.07804       0.8330274     73.89318       1.223199      76.10289       1.137609  
1 1 1 6  6  11 o 56.61440       0.6732679     54.68170       0.9896637     58.27948       0.9185928 
1 1 1 6  6  12 o 32.52119       0.4701507     32.71596       0.6453926     32.30096       0.6862761 
1 1 1 6  6  13 o 27.10458       0.4324549     27.64762       0.5923275     26.48469       0.6328489 
1 1 1 6  6  14 o 213.6229       2.083619      213.3711       2.856137      213.9094       3.046422  
1 1 1 6  6  15 o 38.60602       0.5586990     38.38535       0.7605766     38.86464       0.8233965 
1 1 1 6  6  16 o 149.4980       1.566136      147.8934       2.142967      151.3375       2.294488  
1 1 1 6  6  17 o 53.20546       0.7156855     52.02922       0.9740152     54.58571       1.055105  
1 1 1 6  6  18 o 109.3039       1.239715      109.0504       1.700687      109.5913       1.810946  
1 1 1 6  6  19 o 25.03119       0.5070128     25.56201       0.6880583     24.40052       0.7499866 
1 1 1 6  6  20 o 43.31742       0.7109061     41.97852       1.010136      44.63137       1.000677  
1 1 1 6  6  21 o 0.4271082      0.4340097     0.3084773      0.6019490     0.5555487      0.6263422 
1 1 1 6  6  22 o 11.41140       0.5031258     10.70397       0.7071403     12.13666       0.7159970 
1 1 1 6  6  23 o 7.914289       0.4968923     7.431578       0.6887560     8.438209       0.7175519 
1 1 1 6  6  24 o 0.1873871      0.4606228     0.2071441      0.6401188     0.1661708      0.6633397 
1 1 1 6  6  25 o 8.327791       0.4927621     7.778253       0.6890320     8.903069       0.7049837 
1 1 1 6  6  26 o 5.131900       0.4626939     5.130226       0.6359327     5.133784       0.6744617 
1 1 1 6  6  27 f 14.05884       0.5370793     14.37037       0.7513347     13.73331       0.7680299 
1 1 1 6  6  28 o 6.260934       0.4936342     5.970572       0.6994576     6.549058       0.6967586 
1 1 1 6  6  29 o 2.695924       0.4752316     3.166963       0.6620364     2.195179       0.6825929 
1 1 1 6  6  30 f 1.493052       0.4916566     1.731501       0.6756480     1.224679       0.7167893 
1 1 1 6  6  31 o -0.6932554E-01 0.5026848     -0.7379084E-01 0.6879674     -0.6421081E-01 0.7362982 
1 1 1 6  6  32 f 1.053947       0.5300542     0.9702070      0.7284819     1.148160       0.7726895 
1 1 1 6  6  33 o 0.5260695      0.5416407     0.2559600      0.7445478     0.8297104      0.7894104 
1 1 1 6  6  34 o 0.6916322      0.5611538     0.9839696      0.7634133     0.3480226      0.8276565 
1 1 1 6  6  35 o 0.9877893      0.5790438     0.9708756      0.7939357     1.007010       0.8463591 
1 1 1 6  7  0  o 32.05867       0.5794017     32.05867       0.4096989     ?              ?         
1 1 1 6  7  1  o 83.21593       0.8324246     83.02406       1.172701      83.41079       1.181804  
1 1 1 6  7  2  o 79.99363       0.8036209     79.66882       1.136721      80.31817       1.136262  
1 1 1 6  7  3  f 6.393168       0.2333454     6.850427       0.3488803     6.023037       0.3138870 
1 1 1 6  7  4  o 103.3611       1.027431      100.0147       1.480640      106.4689       1.426867  
1 1 1 6  7  5  o 4.388001       0.2254340     4.199156       0.3313490     4.550744       0.3075979 
1 1 1 6  7  6  o 94.82977       1.013861      95.84962       1.479090      93.92587       1.392461  
1 1 1 6  7  7  o 13.47375       0.3021387     13.20071       0.4379390     13.72176       0.4173793 
1 1 1 6  7  8  o 27.60886       0.4042877     26.49363       0.6098034     28.48348       0.5400319 
1 1 1 6  7  9  o 16.07429       0.3142712     16.26420       0.4938906     15.94508       0.4073892 
1 1 1 6  7  10 o 43.05230       0.5610008     42.99301       0.8312024     43.10190       0.7602823 
1 1 1 6  7  11 o 219.9761       2.077564      215.7924       3.041984      223.6335       2.844213  
1 1 1 6  7  12 o 88.45527       0.9438308     88.44874       1.337981      88.46174       1.331598  
1 1 1 6  7  13 o 102.9484       1.119064      100.8751       1.525222      105.3658       1.646973  
1 1 1 6  7  14 f 26.18893       0.4519794     26.52971       0.6166284     25.79326       0.6644365 
1 1 1 6  7  15 o 129.1892       1.373312      130.1397       1.886031      128.1165       2.003611  
1 1 1 6  7  16 o 41.62203       0.6086888     40.77459       0.8195875     42.66439       0.9089660 
1 1 1 6  7  17 o 70.24767       0.8755165     70.46127       1.194890      70.00006       1.286516  
1 1 1 6  7  18 o 72.82146       0.9119911     73.33892       1.253500      72.23948       1.329339  
1 1 1 6  7  19 o 70.13791       0.9042703     69.50780       1.233456      70.87009       1.329614  
1 1 1 6  7  20 o 51.34666       0.7557672     51.86726       1.031367      50.74293       1.110666  
1 1 1 6  7  21 f 31.25935       0.6074023     30.69720       0.8231317     31.93140       0.8999990 
1 1 1 6  7  22 o 12.82556       0.4889981     13.09843       0.6559917     12.48431       0.7335923 
1 1 1 6  7  23 o 0.8121538      0.4517362     0.7519322      0.6220331     0.8793593      0.6571122 
1 1 1 6  7  24 f 0.2828849      0.4618425     0.8317235      0.6398945     -0.3138861     0.6672520 
1 1 1 6  7  25 o 1.550831       0.4426279     0.9462979      0.6086410     2.229475       0.6448697 
1 1 1 6  7  26 o 3.286342       0.4595236     3.820640       0.6279477     2.670347       0.6742489 
1 1 1 6  7  27 o 0.1226208      0.4542648     0.3628572      0.6298043     -0.1378894     0.6558412 
1 1 1 6  7  28 o 1.879233       0.4696821     1.469833       0.6396686     2.358163       0.6918586 
1 1 1 6  7  29 o 0.3160724      0.4804667     -0.3901924     0.6764476     1.035156       0.6825587 
1 1 1 6  7  30 o 1.886634       0.4975700     1.994554       0.6980060     1.775138       0.7094746 
1 1 1 6  7  31 o -0.1335095     0.4903012     0.2666995      0.6679052     -0.6012168     0.7220353 
1 1 1 6  7  32 o 0.3818018      0.5158988     0.7473959      0.7129516     -0.2003197E-01 0.7474527 
1 1 1 6  7  33 o 0.8419566E-02  0.5447859     -0.6363055     0.7547877     0.7095553      0.7871158 
1 1 1 6  7  34 o 1.097359       0.5625630     1.538889       0.7717614     0.5967675      0.8217587 
1 1 1 6  7  35 o -0.3717987     0.5863310     -0.9688971     0.8095077     0.2871436      0.8503970 
1 1 1 6  8  0  o 104.9359       1.441694      104.9359       1.019432      ?              ?         
1 1 1 6  8  1  o 108.8343       1.060913      110.9260       1.502327      106.7535       1.498397  
1 1 1 6  8  2  o 86.43185       0.8721840     86.26817       1.230028      86.59736       1.236909  
1 1 1 6  8  3  o 148.2359       1.412689      148.6238       2.056720      147.8894       1.943752  
1 1 1 6  8  4  o 229.0195       2.053197      229.5235       3.003528      228.5773       2.813133  
1 1 1 6  8  5  o 272.7955       2.366292      270.3622       3.427211      275.0123       3.271127  
1 1 1 6  8  6  o 116.3500       1.190899      118.6552       1.694374      114.0994       1.674178  
1 1 1 6  8  7  o 136.8303       1.411223      132.1355       2.035863      141.1726       1.957957  
1 1 1 6  8  8  o 10.38083       0.2905260     10.90435       0.4507481     10.00878       0.3799867 
1 1 1 6  8  9  o 20.54913       0.3701628     20.69557       0.5716932     20.44342       0.4857282 
1 1 1 6  8  10 o 89.55188       0.9622123     89.28860       1.454296      89.75687       1.283247  
1 1 1 6  8  11 o 28.26768       0.4441538     26.84528       0.6750695     29.35340       0.5897890 
1 1 1 6  8  12 o 33.85710       0.4969983     35.41624       0.7732010     32.75937       0.6487800 
1 1 1 6  8  13 o 146.0920       1.461633      145.0662       2.060778      147.1304       2.073401  
1 1 1 6  8  14 o 234.2528       2.295974      236.1624       3.182614      232.1805       3.315453  
1 1 1 6  8  15 o 91.20007       1.052700      90.76582       1.445509      91.69045       1.536104  
1 1 1 6  8  16 o 24.95561       0.4839515     25.58098       0.6609430     24.23280       0.7105701 
1 1 1 6  8  17 o 71.39442       0.8935574     71.49796       1.228103      71.27795       1.302542  
1 1 1 6  8  18 o 39.28148       0.6287530     39.08770       0.8512411     39.51413       0.9327157 
1 1 1 6  8  19 o 18.69409       0.4867666     18.42183       0.6522587     19.03632       0.7312828 
1 1 1 6  8  20 o 19.14147       0.5129098     19.33764       0.6932127     18.90415       0.7624484 
1 1 1 6  8  21 o 10.78112       0.4824249     10.67274       0.6424476     10.92124       0.7305080 
1 1 1 6  8  22 f 32.67514       0.6365758     33.83667       0.8681725     31.32452       0.9361773 
1 1 1 6  8  23 o 7.091396       0.4699423     7.649782       0.6218428     6.347817       0.7175909 
1 1 1 6  8  24 f 1.442326       0.4289428     0.8790022      0.5659788     2.202534       0.6574877 
1 1 1 6  8  25 o 4.709414       0.4295801     4.476962       0.5663909     5.024230       0.6591389 
1 1 1 6  8  26 o 7.116327       0.4554065     6.397475       0.6123448     8.006018       0.6812332 
1 1 1 6  8  27 o 4.356970       0.4453269     4.897575       0.5973236     3.680475       0.6681934 
1 1 1 6  8  28 o 1.053056       0.4617380     0.7240511      0.6246213     1.449466       0.6856261 
1 1 1 6  8  29 o 0.1853185      0.4805198     -0.3493796     0.6579823     0.7963879      0.7034045 
1 1 1 6  8  30 o -0.7680599     0.4806408     -0.7137846     0.6445441     -0.8360478     0.7213855 
1 1 1 6  8  31 f -0.3619987E-02 0.4956826     -0.1301922     0.6824371     0.1377266      0.7211674 
1 1 1 6  8  32 f -0.1803385     0.5288845     0.1547581E-01  0.7243720     -0.4039052     0.7740036 
1 1 1 6  8  33 o -0.2536560     0.5480080     0.7807036E-01  0.7419015     -0.6519753     0.8129652 
1 1 1 6  8  34 o 0.9186854E-01  0.5616666     0.6212226      0.7623726     -0.5365404     0.8306447 
1 1 1 6  8  35 f 0.8358164      0.5988986     0.5037652      0.7958034     1.269501       0.9094741 
1 1 1 6  9  0  o 150.9670       1.982688      150.9670       1.401972      ?              ?         
1 1 1 6  9  1  o 157.5348       1.464484      156.0887       2.066149      158.9949       2.076073  
1 1 1 6  9  2  o 131.0430       1.281353      129.6483       1.862982      132.2951       1.765185  
1 1 1 6  9  3  o 8.455333       0.2968617     9.430545       0.4494663     7.700745       0.3953690 
1 1 1 6  9  4  f 5.963954       0.2765354     6.162593       0.4119590     5.801035       0.3730845 
1 1 1 6  9  5  o 16.76182       0.3391657     16.76022       0.5022963     16.76317       0.4598191 
1 1 1 6  9  6  o 60.95571       0.7157621     59.64728       1.005728      62.29858       1.018881  
1 1 1 6  9  7  o 32.62667       0.4748278     32.35825       0.6680197     32.90076       0.6750513 
1 1 1 6  9  8  o 2.859443       0.2737517     2.590681       0.4308136     3.041451       0.3545278 
1 1 1 6  9  9  o 57.81659       0.6936907     58.93233       1.058362      56.97626       0.9184923 
1 1 1 6  9  10 o 74.89560       0.8557595     73.31548       1.286288      76.15037       1.146237  
1 1 1 6  9  11 f 96.48729       1.046279      97.44989       1.586152      95.74582       1.392093  
1 1 1 6  9  12 o 215.1478       2.069412      214.6613       3.126897      215.5270       2.760425  
1 1 1 6  9  13 o 375.5205       3.414007      372.6336       5.109225      377.8492       4.588857  
1 1 1 6  9  14 o 38.19559       0.5504492     38.18082       0.8052821     38.20855       0.7541378 
1 1 1 6  9  15 o 6.485333       0.3557008     6.510070       0.4914726     6.458123       0.5154577 
1 1 1 6  9  16 o 1.229009       0.3357974     1.530041       0.4499480     0.8505591      0.5044981 
1 1 1 6  9  17 o 77.69751       0.9695957     78.66758       1.333827      76.61050       1.411934  
1 1 1 6  9  18 o 142.2681       1.565895      141.6268       2.147321      142.9965       2.288428  
1 1 1 6  9  19 o 56.89062       0.8078112     57.34930       1.110013      56.37417       1.177837  
1 1 1 6  9  20 o 1.930376       0.4210851     1.488761       0.5484716     2.564371       0.6571667 
1 1 1 6  9  21 o 5.612096       0.4908897     5.723004       0.6337267     5.445722       0.7761818 
1 1 1 6  9  22 o 1.057836       0.4336028     1.197286       0.5740434     0.8725664      0.6616625 
1 1 1 6  9  23 o 3.927590       0.4473756     4.054828       0.5899472     3.755398       0.6862970 
1 1 1 6  9  24 f 5.819410       0.4382198     5.441822       0.5796213     6.323222       0.6695290 
1 1 1 6  9  25 o 4.188546       0.4370507     4.299010       0.5810630     4.044636       0.6632193 
1 1 1 6  9  26 o 0.7718166E-01  0.4279473     -0.3849180     0.5747774     0.6519856      0.6410497 
1 1 1 6  9  27 o 0.8240675      0.4473792     0.6731371      0.5941187     1.021730       0.6799021 
1 1 1 6  9  28 f 1.256594       0.4461074     1.652219       0.5949396     0.7484396      0.6742620 
1 1 1 6  9  29 o 1.055219       0.4587179     1.342894       0.6259594     0.7215237      0.6741701 
1 1 1 6  9  30 o 0.9661029      0.4649192     1.079572       0.6150234     0.8148026      0.7101863 
1 1 1 6  9  31 f 0.3334770      0.4788495     -0.6132867     0.6212226     1.719565       0.7516607 
1 1 1 6  9  32 o 0.2789713      0.5070064     0.3380180      0.6592559     0.1934901      0.7932160 
1 1 1 6  9  33 o 0.7198409      0.5224590     1.032641       0.6829170     0.2783845      0.8112940 
1 1 1 6  9  34 o 0.2207030E-01  0.5738131     -0.4121296     0.7783892     0.5388840      0.8492175 
1 1 1 6  10 0  o 335.8270       4.039886      335.8270       2.856631      ?              ?         
1 1 1 6  10 1  f 362.8972       3.000050      362.5351       4.242486      363.2595       4.242937  
1 1 1 6  10 2  o 589.7729       4.650857      592.1559       6.798809      587.6769       6.376130  
1 1 1 6  10 3  o 192.4815       1.817462      193.6774       2.655043      191.4269       2.493148  
1 1 1 6  10 4  o 195.1918       1.844383      193.8170       2.668620      196.4490       2.551990  
1 1 1 6  10 5  o 12.02486       0.3238038     13.06388       0.4765070     11.13344       0.4413650 
1 1 1 6  10 6  o 84.02820       0.9364594     82.62444       1.316287      85.46690       1.332570  
1 1 1 6  10 7  o 303.9762       2.780013      299.8651       3.912130      308.1698       3.951227  
1 1 1 6  10 8  o 331.5153       2.931262      330.5020       4.267564      332.4203       4.033218  
1 1 1 6  10 9  f 182.0148       1.840484      182.4997       2.694118      181.5904       2.520249  
1 1 1 6  10 10 o 1.070244       0.2892198     0.4735693      0.4685000     1.437655       0.3676353 
1 1 1 6  10 11 o 78.26523       0.9030854     77.73539       1.370175      78.67220       1.200826  
1 1 1 6  10 12 o 52.44615       0.6903879     51.76460       1.050109      52.96500       0.9162375 
1 1 1 6  10 13 o 29.35825       0.5129293     29.02421       0.7921973     29.59937       0.6730602 
1 1 1 6  10 14 o 127.4324       1.325903      128.3120       1.930185      126.6465       1.824496  
1 1 1 6  10 15 o 3.017640       0.3298161     2.009625       0.4936993     3.830106       0.4432322 
1 1 1 6  10 16 o 106.5133       1.193775      106.8577       1.683843      106.1653       1.692696  
1 1 1 6  10 17 o 73.82681       0.9161240     74.49500       1.286528      73.13946       1.304856  
1 1 1 6  10 18 o 20.04241       0.5149830     20.40638       0.6940598     19.59658       0.7681559 
1 1 1 6  10 19 o 56.34805       0.8182375     55.98605       1.119416      56.76335       1.199005  
1 1 1 6  10 20 o 13.55679       0.4926584     13.92358       0.6615655     13.10016       0.7381587 
1 1 1 6  10 21 o 1.155101       0.4381259     1.381875       0.5785507     0.8501949      0.6708524 
1 1 1 6  10 22 f 7.061347       0.4668485     7.434007       0.6253386     6.592139       0.7016841 
1 1 1 6  10 23 o 0.3328728      0.4165214     0.1545652      0.5379068     0.5998872      0.6582479 
1 1 1 6  10 24 o -0.2554786     0.4282747     -0.3705838     0.5727024     -0.1094407     0.6450807 
1 1 1 6  10 25 o 0.4757073      0.4268065     0.7166502      0.5704416     0.1692906      0.6432950 
1 1 1 6  10 26 o 1.677603       0.4350732     1.447396       0.5724480     1.992436       0.6694494 
1 1 1 6  10 27 o 0.9621539      0.4414534     1.085335       0.5923755     0.8082984      0.6620353 
1 1 1 6  10 28 o 0.8865778      0.4554364     1.000340       0.6101291     0.7434234      0.6844230 
1 1 1 6  10 29 o 1.956820       0.4750467     2.484638       0.6338273     1.280306       0.7175752 
1 1 1 6  10 30 o 0.9337248      0.4739136     0.4158154      0.6217631     1.651767       0.7321044 
1 1 1 6  10 31 o 0.8922096      0.4967107     0.3017149      0.6463813     1.743751       0.7762177 
1 1 1 6  10 32 o 1.327097       0.5078968     1.533007       0.6672946     1.043542       0.7830648 
1 1 1 6  10 33 o 0.7866610      0.5805025     0.6839699      0.7697242     0.9221061      0.8839964 
1 1 1 6  10 34 o 0.9315690      0.5526633     1.240431       0.7266681     0.5077875      0.8511864 
1 1 1 6  11 0  o 140.2245       1.915297      140.2245       1.354320      ?              ?         
1 1 1 6  11 1  o 115.1244       1.181252      114.8557       1.719139      115.3647       1.625849  
1 1 1 6  11 2  o 96.17743       1.018759      93.35856       1.473401      98.75953       1.410165  
1 1 1 6  11 3  o 198.7193       1.877369      199.5413       2.739298      197.9911       2.578036  
1 1 1 6  11 4  o 168.3697       1.631982      166.1841       2.358079      170.3790       2.260927  
1 1 1 6  11 5  o 421.2891       3.598719      424.3763       5.240417      418.5338       4.950651  
1 1 1 6  11 6  o 825.6216       6.549541      838.4890       9.247841      812.6726       9.277126  
1 1 1 6  11 7  o 417.4733       3.726214      416.6042       5.260693      418.3484       5.278678  
1 1 1 6  11 8  o 124.8904       1.321151      127.3903       1.877727      122.4396       1.859190  
1 1 1 6  11 9  o 35.73533       0.5261579     36.50047       0.7796855     35.09552       0.7129801 
1 1 1 6  11 10 o 387.5879       3.490068      388.5390       5.242656      386.8310       4.677033  
1 1 1 6  11 11 f 91.51340       1.035662      90.79704       1.563334      92.07368       1.382563  
1 1 1 6  11 12 o 46.08490       0.6575366     47.17342       1.010906      45.28666       0.8656861 
1 1 1 6  11 13 o 2.803831       0.3588595     2.154207       0.5797359     3.207368       0.4569206 
1 1 1 6  11 14 o 7.082811       0.3880237     5.681225       0.6187800     7.991128       0.4981330 
1 1 1 6  11 15 o 54.63712       0.7245814     55.68885       1.058486      53.70968       0.9939786 
1 1 1 6  11 16 o 14.47017       0.4301578     15.05661       0.6372343     13.97924       0.5830417 
1 1 1 6  11 17 o 3.525485       0.4096232     3.910974       0.5794045     3.140288       0.5791849 
1 1 1 6  11 18 f 15.92535       0.4865424     16.28794       0.6863874     15.55917       0.6897750 
1 1 1 6  11 19 o 3.965834       0.4350104     4.782182       0.6015943     3.071236       0.6297675 
1 1 1 6  11 20 o 0.9146045      0.4263577     1.476571       0.5835190     0.2709617      0.6244853 
1 1 1 6  11 21 o 4.135998       0.4414912     4.142953       0.6199124     4.128839       0.6289104 
1 1 1 6  11 22 o 0.8056731      0.4352265     0.6301544      0.5818901     1.028548       0.6557069 
1 1 1 6  11 23 o 2.411951       0.4311811     1.846334       0.5715434     3.159105       0.6568905 
1 1 1 6  11 24 o 0.8981114      0.4326490     1.135152       0.5883356     0.6189706      0.6384482 
1 1 1 6  11 25 o 3.253509       0.4492660     3.130554       0.6056305     3.403962       0.6699423 
1 1 1 6  11 26 o 2.267405       0.4371496     1.802369       0.5695627     2.934075       0.6819513 
1 1 1 6  11 27 o 0.9512175      0.4368628     0.8282946      0.5891137     1.101402       0.6511716 
1 1 1 6  11 28 o 0.2966279      0.4502141     0.7140661      0.6045333     -0.2232028     0.6746135 
1 1 1 6  11 29 f 1.051458       0.4680459     0.7584139      0.6142483     1.457162       0.7227406 
1 1 1 6  11 30 o -0.1300713     0.4825484     -0.5850664     0.6248910     0.5420285      0.7594825 
1 1 1 6  11 31 o -0.2953982     0.4995228     0.2902479      0.6532002     -1.120317      0.7752364 
1 1 1 6  11 32 o 0.1321765      0.5148496     0.6677529E-01  0.6591191     0.2345331      0.8245723 
1 1 1 6  11 33 o 0.5460036      0.5432921     0.3344477      0.7133794     0.8381485      0.8383148 
1 1 1 6  12 0  o 158.5833       2.160835      158.5833       1.527941      ?              ?         
1 1 1 6  12 1  o 216.7854       2.056979      212.4276       2.975599      220.7738       2.846695  
1 1 1 6  12 2  o 212.8014       2.038787      212.0961       2.955604      213.4416       2.816019  
1 1 1 6  12 3  o 130.8983       1.338774      130.8760       1.946743      130.9183       1.844053  
1 1 1 6  12 4  o 187.4262       1.821047      189.3108       2.661746      185.7678       2.496855  
1 1 1 6  12 5  o 89.98068       0.9851901     94.38229       1.458222      86.28441       1.336288  
1 1 1 6  12 6  o 0.8931093      0.3233947     0.5634331      0.4541248     1.232318       0.4606433 
1 1 1 6  12 7  o 40.99432       0.5983672     38.98970       0.8272001     43.19452       0.8666129 
1 1 1 6  12 8  o 142.3341       1.498229      141.6479       2.109974      143.0319       2.127768  
1 1 1 6  12 9  o 248.7773       2.361063      248.5703       3.443955      248.9609       3.243177  
1 1 1 6  12 10 o 37.14144       0.5733847     36.60620       0.8479523     37.59236       0.7782952 
1 1 1 6  12 11 o 41.39087       0.6343300     38.93776       0.9690953     43.22976       0.8390486 
1 1 1 6  12 12 o 19.49179       0.4712059     19.81879       0.7404997     19.26929       0.6108349 
1 1 1 6  12 13 o 43.95749       0.6585043     42.91585       1.013998      44.71719       0.8659570 
1 1 1 6  12 14 o 41.41106       0.6451967     40.74393       0.9913034     41.90137       0.8498372 
1 1 1 6  12 15 o 3.124653       0.4043177     3.882095       0.6578175     2.664780       0.5125657 
1 1 1 6  12 16 f 5.798732       0.4043253     6.284564       0.6006250     5.396122       0.5467669 
1 1 1 6  12 17 o 6.160211       0.4532192     6.151619       0.6419625     6.168748       0.6399397 
1 1 1 6  12 18 o 20.47233       0.5417063     20.64609       0.7626431     20.29540       0.7695810 
1 1 1 6  12 19 o 13.21907       0.4901456     12.91275       0.6735948     13.56377       0.7145587 
1 1 1 6  12 20 o 9.167178       0.4678122     7.801001       0.6503907     10.63164       0.6733806 
1 1 1 6  12 21 o 5.484511       0.4516704     5.608166       0.6313188     5.354851       0.6464675 
1 1 1 6  12 22 o 4.930409       0.4387995     4.840197       0.6216778     5.019972       0.6194406 
1 1 1 6  12 23 o 7.208525       0.4395707     7.788515       0.6118235     6.589731       0.6319592 
1 1 1 6  12 24 o 2.536905       0.4265288     2.879792       0.5977428     2.181197       0.6088151 
1 1 1 6  12 25 o 1.319422       0.4297203     1.577345       0.5937182     1.035655       0.6227534 
1 1 1 6  12 26 o 0.8145911      0.4277408     0.6160814      0.5720818     1.066261       0.6441434 
1 1 1 6  12 27 o 2.240207       0.4630110     2.346379       0.6232437     2.109437       0.6916839 
1 1 1 6  12 28 o 0.1281662      0.4600239     -0.3540812     0.6151012     0.7402670      0.6929840 
1 1 1 6  12 29 o 1.194964       0.4759180     1.100517       0.6287982     1.321628       0.7281862 
1 1 1 6  12 30 o 0.6467915      0.4959292     1.303780       0.6585209     -0.2140514     0.7537937 
1 1 1 6  12 31 o 0.2253770      0.4992474     0.1648029E-02  0.6631852     0.5179990      0.7584504 
1 1 1 6  12 32 o 1.399411       0.5419779     1.491618       0.7138233     1.273903       0.8328044 
1 1 1 6  12 33 o -0.1044918     0.5305284     -0.2825766     0.6899598     0.1531029      0.8298101 
1 1 1 6  13 0  f 1.640042       0.4885077     1.640042       0.3454271     ?              ?         
1 1 1 6  13 1  o 103.9354       1.112217      102.0654       1.613794      105.6272       1.534987  
1 1 1 6  13 2  o 266.3980       2.491017      261.3229       3.601657      271.0520       3.448962  
1 1 1 6  13 3  o 220.5128       2.115335      216.8619       3.055268      223.8743       2.931632  
1 1 1 6  13 4  o 143.5627       1.466382      140.1122       2.115651      146.7529       2.034295  
1 1 1 6  13 5  f 9.342488       0.3716328     9.867259       0.5506274     8.903448       0.5036458 
1 1 1 6  13 6  o 1.267614       0.3743010     1.420698       0.5270215     1.111805       0.5316925 
1 1 1 6  13 7  o 160.5390       1.673682      157.0528       2.347434      164.1437       2.386948  
1 1 1 6  13 8  o 96.42659       1.112953      93.17102       1.553337      99.86092       1.595412  
1 1 1 6  13 9  o 192.3127       1.922317      189.8432       2.787214      194.5530       2.654753  
1 1 1 6  13 10 o 82.32564       0.9641551     80.31126       1.402889      84.12876       1.327292  
1 1 1 6  13 11 f 151.2880       1.563475      151.0261       2.284352      151.5188       2.144449  
1 1 1 6  13 12 o 24.97696       0.5290267     25.08482       0.8325673     24.90393       0.6851169 
1 1 1 6  13 13 o 8.613227       0.4272217     9.424883       0.6959343     8.122375       0.5411997 
1 1 1 6  13 14 o 15.31553       0.4778995     15.26748       0.7632785     15.34652       0.6129028 
1 1 1 6  13 15 o 5.794442       0.4558714     5.811202       0.7374233     5.784076       0.5799708 
1 1 1 6  13 16 o 2.312546       0.4450895     2.402280       0.7087675     2.254118       0.5719238 
1 1 1 6  13 17 f 1.882111       0.4212823     1.566314       0.6183632     2.155654       0.5755088 
1 1 1 6  13 18 o 14.53773       0.5090997     14.82048       0.7243695     14.26174       0.7156609 
1 1 1 6  13 19 o 8.712915       0.4749016     9.058821       0.6696001     8.362822       0.6736426 
1 1 1 6  13 20 o 3.911811       0.4567673     4.443414       0.6298348     3.322030       0.6634048 
1 1 1 6  13 21 o 1.539227       0.4211897     1.598792       0.5797288     1.472636       0.6129642 
1 1 1 6  13 22 o 4.127542       0.4217070     4.188349       0.5972889     4.067102       0.5954829 
1 1 1 6  13 23 o 6.598800       0.4575516     7.071868       0.6435254     6.115147       0.6506854 
1 1 1 6  13 24 o 1.865870       0.4297518     1.954058       0.5970990     1.771089       0.6190149 
1 1 1 6  13 25 f 5.408478       0.4505308     5.258361       0.6248825     5.570987       0.6501626 
1 1 1 6  13 26 o 1.818317       0.4431052     1.288505       0.6089722     2.414428       0.6459523 
1 1 1 6  13 27 o 0.7918708      0.4560115     0.2044785      0.6181452     1.493227       0.6754540 
1 1 1 6  13 28 o 0.6722038E-01  0.4723981     -0.4093722     0.6599622     0.5679796      0.6764878 
1 1 1 6  13 29 o 0.8862802      0.4736517     0.5586498      0.6438919     1.272626       0.6992120 
1 1 1 6  13 30 o 1.157120       0.4989861     1.131360       0.6758654     1.187986       0.7398072 
1 1 1 6  13 31 o 0.4193972      0.5175703     0.9552717      0.7070019     -0.1994235     0.7597513 
1 1 1 6  13 32 o 0.3229885      0.5480314     0.6097237      0.7317512     -0.4328032E-01 0.8270332 
1 1 1 6  14 0  o 38.55835       0.8670585     38.55835       0.6131029     ?              ?         
1 1 1 6  14 1  o 68.61879       0.8571284     68.16120       1.209130      69.08100       1.215218  
1 1 1 6  14 2  f 80.16616       0.9293994     78.50642       1.346255      81.67746       1.284647  
1 1 1 6  14 3  o 221.1957       2.154742      218.8501       3.119595      223.3358       2.979744  
1 1 1 6  14 4  f 87.55286       0.9954423     84.69654       1.439124      90.17313       1.378376  
1 1 1 6  14 5  o 69.30914       0.8512748     66.28074       1.225057      72.13686       1.183773  
1 1 1 6  14 6  f 46.11223       0.6939604     45.94061       0.9758319     46.28783       0.9870812 
1 1 1 6  14 7  o 18.66531       0.5004215     19.24731       0.7030330     18.06758       0.7124669 
1 1 1 6  14 8  o 8.582809       0.4512266     8.604222       0.6372829     8.561282       0.6389819 
1 1 1 6  14 9  o 20.69051       0.5044295     20.33926       0.7496481     20.98114       0.6818972 
1 1 1 6  14 10 o 77.43423       0.9319631     78.90239       1.365845      76.15517       1.274845  
1 1 1 6  14 11 o 5.584891       0.4195994     5.812859       0.6341338     5.407343       0.5596312 
1 1 1 6  14 12 f 66.04908       0.8508283     67.51987       1.262499      64.82526       1.151634  
1 1 1 6  14 13 o 22.95625       0.5408057     22.56515       0.8416625     23.23127       0.7057839 
1 1 1 6  14 14 f 15.81743       0.5169792     15.36061       0.8205103     16.11818       0.6657486 
1 1 1 6  14 15 o 29.63397       0.6105973     28.81784       0.9534861     30.20133       0.7949917 
1 1 1 6  14 16 o 5.937957       0.4891083     5.599466       0.8181641     6.126202       0.6101374 
1 1 1 6  14 17 o 4.939181       0.4815237     3.716573       0.7636167     5.746253       0.6204228 
1 1 1 6  14 18 o 5.746509       0.4492951     5.456915       0.6467865     6.016569       0.6245930 
1 1 1 6  14 19 o 8.095688       0.4693011     8.301489       0.6553065     7.879005       0.6724079 
1 1 1 6  14 20 o 14.70001       0.4982065     14.64208       0.6922426     14.76226       0.7175812 
1 1 1 6  14 21 o 20.86040       0.7850969     22.05264       2.254783      20.69592       0.8375052 
1 1 1 6  14 22 o 16.39302       0.5042861     16.43513       0.7067921     16.34936       0.7197201 
1 1 1 6  14 23 o 6.566979       0.4562331     6.777907       0.6318758     6.337255       0.6594280 
1 1 1 6  14 24 o 2.127023       0.4371022     1.944911       0.6053855     2.325355       0.6317701 
1 1 1 6  14 25 o 0.4194317E-01  0.4410989     0.4765747      0.6125813     -0.4260772     0.6356755 
1 1 1 6  14 26 o 0.3432640      0.4635180     -0.1580163     0.6520506     0.8553361      0.6590320 
1 1 1 6  14 27 o 0.7702913      0.4641491     0.9019647      0.6351141     0.6193514      0.6799935 
1 1 1 6  14 28 f 0.6839012E-01  0.4897421     0.3401171      0.6716459     -0.2401051     0.7156460 
1 1 1 6  14 29 o 1.206793       0.5041294     1.422995       0.6885477     0.9569798      0.7401377 
1 1 1 6  14 30 o 0.2014526      0.5031568     -0.2576770E-01 0.6659234     0.5037568      0.7681090 
1 1 1 6  14 31 o 0.2280186      0.5074174     0.4779837      0.6859944     -0.7397250E-01 0.7540116 
1 1 1 6  14 32 o 0.4538906E-01  0.5414996     0.6628950E-02  0.7432477     0.8923750E-01  0.7905296 
1 1 1 6  15 0  f 32.62026       0.8366419     32.62026       0.5915952     ?              ?         
1 1 1 6  15 1  o 138.3256       1.487811      138.4423       2.104534      138.2091       2.103631  
1 1 1 6  15 2  o 136.0525       1.472741      135.8916       2.079779      136.2142       2.085775  
1 1 1 6  15 3  o 164.9740       1.682609      163.7123       2.441605      166.1151       2.322032  
1 1 1 6  15 4  o 11.00033       0.4399961     10.67642       0.6549777     11.26672       0.5939815 
1 1 1 6  15 5  o 65.94426       0.8365343     65.42532       1.218126      66.40743       1.150817  
1 1 1 6  15 6  o 48.44607       0.7321967     47.30460       1.028107      49.62090       1.043019  
1 1 1 6  15 7  o 21.36488       0.5412722     21.20590       0.7530667     21.53479       0.7785165 
1 1 1 6  15 8  o 19.51935       0.5323077     18.89255       0.7414256     20.18613       0.7647079 
1 1 1 6  15 9  f 22.21865       0.5287579     19.95810       0.7744696     24.19234       0.7236663 
1 1 1 6  15 10 o 28.50817       0.5786377     27.70919       0.8494836     29.19978       0.7903474 
1 1 1 6  15 11 o 35.51157       0.6357238     35.50919       0.9492625     35.51352       0.8560447 
1 1 1 6  15 12 o 86.93963       1.048265      87.77895       1.539345      86.21382       1.431467  
1 1 1 6  15 13 o 86.94312       1.047586      86.24297       1.532934      87.55663       1.434938  
1 1 1 6  15 14 o 43.09683       0.7289907     42.41659       1.123062      43.59214       0.9583225 
1 1 1 6  15 15 o 3.951265       0.4856339     2.890846       0.7557267     4.697171       0.6338233 
1 1 1 6  15 16 o 1.712634       0.4891077     2.012744       0.7604870     1.500923       0.6387388 
1 1 1 6  15 17 o 4.160901       0.4766298     5.033006       0.7537627     3.579869       0.6152477 
1 1 1 6  15 18 o 1.963731       0.4615375     2.365189       0.7423895     1.710815       0.5892506 
1 1 1 6  15 19 o 4.746130       0.4221796     4.008120       0.6055236     5.444237       0.5889264 
1 1 1 6  15 20 f 6.702834       0.4697488     6.792871       0.6364495     6.595092       0.6962168 
1 1 1 6  15 21 o 0.3428437      0.4229366     0.8385883E-01  0.5816834     0.6333249      0.6160395 
1 1 1 6  15 22 o 0.4907967      0.4231284     0.2958980      0.5860614     0.7030093      0.6115391 
1 1 1 6  15 23 o -0.5385259     0.4297235     -0.2253245     0.6024462     -0.8629411     0.6131364 
1 1 1 6  15 24 o -0.3052818     0.4389946     -0.3184317     0.6140582     -0.2915353     0.6278352 
1 1 1 6  15 25 o 0.4478804      0.4387775     0.1704915      0.6171443     0.7314318      0.6239620 
1 1 1 6  15 26 o 0.5266884E-01  0.4588577     -0.6356753E-01 0.6405114     0.1752180      0.6576746 
1 1 1 6  15 27 o -0.1827829     0.4799024     -0.4811701     0.6672891     0.1368942      0.6906845 
1 1 1 6  15 29 o 0.1741250      0.5005923     1.285065       0.6948113     -1.024967      0.7218515 
1 1 1 6  15 30 o 0.2183042      0.5288214     0.6535590      0.7288312     -0.2655890     0.7684754 
1 1 1 6  15 31 o 0.9322849      0.5313858     1.222494       0.7229013     0.5911462      0.7837698 
1 1 1 6  16 0  o 162.8325       2.430241      162.8325       1.718440      ?              ?         
1 1 1 6  16 1  o 20.41636       0.5381211     19.20919       0.7349596     21.81133       0.7900608 
1 1 1 6  16 2  o 30.66507       0.6026951     29.01870       0.8308364     32.49363       0.8756039 
1 1 1 6  16 3  o 38.96393       0.6341244     38.21425       0.9142879     39.65884       0.8802547 
1 1 1 6  16 4  o 4.230556       0.4279626     3.695815       0.6125541     4.740468       0.5981634 
1 1 1 6  16 5  o 34.64356       0.6081539     33.36090       0.8797063     35.81770       0.8416729 
1 1 1 6  16 6  o 37.45020       0.6608552     34.35776       0.9252543     40.67069       0.9442148 
1 1 1 6  16 7  o 114.7809       1.315186      112.6979       1.839529      116.9591       1.881074  
1 1 1 6  16 8  o 68.81140       0.9211648     69.09313       1.295978      68.52372       1.309576  
1 1 1 6  16 9  o 93.94908       1.099098      93.63614       1.604855      94.22552       1.508349  
1 1 1 6  16 10 o 6.179933       0.4651388     6.612604       0.6987669     5.835678       0.6232948 
1 1 1 6  16 11 o 11.36162       0.5078733     10.95892       0.7516323     11.69995       0.6889384 
1 1 1 6  16 12 o 10.80185       0.5065899     10.03367       0.7577170     11.42276       0.6812250 
1 1 1 6  16 13 o 52.76492       0.7959692     51.93958       1.168530      53.47939       1.087206  
1 1 1 6  16 14 o 43.24682       0.7113773     43.53146       1.034121      42.99113       0.9801276 
1 1 1 6  16 15 o 5.739791       0.4897455     6.007960       0.7581128     5.547723       0.6415890 
1 1 1 6  16 16 o 3.310467       0.4735200     2.400511       0.7605810     3.886400       0.6050920 
1 1 1 6  16 17 o 0.2907602      0.4457374     0.8926095      0.7114403     -0.9815036E-01 0.5718991 
1 1 1 6  16 18 o 0.6603246      0.4661654     1.688285       0.7416683     -0.1098591E-01 0.5993536 
1 1 1 6  16 19 f 2.218692       0.4601558     3.270703       0.7390711     1.552719       0.5880366 
1 1 1 6  16 20 o 1.785220       0.4002719     1.733143       0.5640860     1.838035       0.5680748 
1 1 1 6  16 21 o 2.149407       0.4208001     2.260743       0.5989031     2.040854       0.5913707 
1 1 1 6  16 22 o 1.587593       0.4409416     1.575488       0.6159843     1.600315       0.6314754 
1 1 1 6  16 23 o 0.8481709      0.4447950     0.7023913      0.6187765     1.004035       0.6398214 
1 1 1 6  16 24 o 0.6517743      0.4573520     0.4302675      0.6476467     0.8721176      0.6459436 
1 1 1 6  16 25 o 0.2196529      0.4579998     -0.4695477     0.6539888     0.8830053      0.6416078 
1 1 1 6  16 26 o -0.9032687     0.4663294     -1.101618      0.6480054     -0.6902080     0.6716062 
1 1 1 6  16 27 o -0.3347706     0.4828485     -0.6452944     0.6645876     0.1239749E-01  0.7027076 
1 1 1 6  16 28 o 0.3172731      0.5061355     0.2597880      0.7109501     0.3763486      0.7207170 
1 1 1 6  16 29 o -0.1275092E-01 0.5138460     0.4090211      0.7059504     -0.4879974     0.7493674 
1 1 1 6  16 30 o -0.3881727     0.5199516     -1.192780      0.7170970     0.5037689      0.7550125 
1 1 1 6  17 0  o 403.4298       5.447965      403.4298       3.852293      ?              ?         
1 1 1 6  17 1  o 327.0729       3.227122      330.3441       4.569857      323.8189       4.557845  
1 1 1 6  17 2  o 59.89496       0.8377720     59.92069       1.179410      59.86876       1.190242  
1 1 1 6  17 3  o 7.831258       0.5001002     8.092138       0.6939786     7.549425       0.7213098 
1 1 1 6  17 4  o 20.29946       0.5357873     20.27182       0.7923677     20.32275       0.7272488 
1 1 1 6  17 5  o 10.29367       0.4990680     9.488647       0.7271378     11.01063       0.6862159 
1 1 1 6  17 6  o 1.864537       0.4956773     2.148627       0.6961873     1.572464       0.7059007 
1 1 1 6  17 7  o 27.57089       0.6296501     28.02945       0.8844244     27.09959       0.8966201 
1 1 1 6  17 8  o 48.97604       0.7639835     48.94437       1.138656      49.00197       1.030321  
1 1 1 6  17 9  o 45.32769       0.7270634     46.62464       1.075694      44.23684       0.9865286 
1 1 1 6  17 10 o 32.41540       0.6530731     30.22301       0.9481619     34.39435       0.9008249 
1 1 1 6  17 11 o 25.71080       0.6121983     25.51860       0.8950711     25.87975       0.8391867 
1 1 1 6  17 12 f 11.86027       0.5336586     12.13163       0.7781713     11.61934       0.7332451 
1 1 1 6  17 13 o 17.01579       0.5525451     16.37046       0.8026290     17.59713       0.7618023 
1 1 1 6  17 14 o 17.47928       0.5620327     17.16562       0.8117891     17.76804       0.7788992 
1 1 1 6  17 15 o 12.10841       0.5308238     11.67942       0.8086743     12.43320       0.7036349 
1 1 1 6  17 16 o 16.47953       0.5525373     15.75440       0.8466079     17.01759       0.7292673 
1 1 1 6  17 17 o 22.39076       0.5870928     21.49234       0.9015161     23.05237       0.7736287 
1 1 1 6  17 18 o 6.380170       0.4829207     6.909378       0.7620139     6.024963       0.6242964 
1 1 1 6  17 19 o 2.478172       0.4672842     1.907938       0.7372878     2.861008       0.6041114 
1 1 1 6  17 20 o 3.697795       0.4553467     3.709974       0.7127073     3.689394       0.5919034 
1 1 1 6  17 21 o 0.8926505      0.4703904     1.048965       0.7321175     0.7827553      0.6138623 
1 1 1 6  17 22 o 3.615936       0.4627341     3.881583       0.6502947     3.343464       0.6585941 
1 1 1 6  17 23 o 3.050802       0.4675175     3.367923       0.6523558     2.715945       0.6703504 
1 1 1 6  17 24 o 0.4485084      0.4652957     0.3424834      0.6458415     0.5629308      0.6709303 
1 1 1 6  17 25 o 0.8085326E-01  0.4900532     0.7898096E-03  0.6813557     0.1666541      0.7053466 
1 1 1 6  17 26 o 0.3168502      0.4786117     1.047499       0.6897403     -0.3616569     0.6646737 
1 1 1 6  17 27 o -0.1184348     0.5074565     -0.2236398     0.7181092     -0.1349743E-01 0.7171956 
1 1 1 6  17 28 o 1.765018       0.5191738     2.433554       0.7144508     1.016993       0.7557324 
1 1 1 6  17 29 o -0.2001871     0.5208328     0.5556917      0.7260842     -1.001358      0.7475213 
1 1 1 6  18 0  o 4.803873       0.6978924     4.803873       0.4934845     ?              ?         
1 1 1 6  18 1  f 44.69013       0.7418086     43.77367       1.038897      45.64341       1.059560  
1 1 1 6  18 2  o 54.40952       0.8347262     52.12306       1.128317      57.17380       1.240621  
1 1 1 6  18 3  o 22.81727       0.6163812     23.32996       0.8406468     22.22115       0.9064578 
1 1 1 6  18 4  f 12.71271       0.5446360     12.02757       0.7607548     13.43309       0.7800714 
1 1 1 6  18 5  o 20.05604       0.5654251     17.77809       0.8006436     22.32251       0.7986240 
1 1 1 6  18 6  o 1.474160       0.5094387     1.669131       0.7041497     1.260023       0.7379482 
1 1 1 6  18 7  o 2.523353       0.5231560     1.971213       0.7186818     3.145714       0.7630157 
1 1 1 6  18 8  o 7.310384       0.5166966     6.193561       0.7673191     8.236926       0.6989023 
1 1 1 6  18 9  o 6.084538       0.5037623     5.510360       0.7194859     6.636725       0.7055728 
1 1 1 6  18 10 o 0.7034803      0.5089517     0.7860914      0.7177761     0.6199465      0.7217733 
1 1 1 6  18 11 o 8.023346       0.5036948     7.748038       0.7383713     8.262975       0.6888667 
1 1 1 6  18 12 o 23.67710       0.6027042     23.13296       0.8827137     24.15231       0.8249230 
1 1 1 6  18 13 o 24.47990       0.6034697     23.35267       0.8720505     25.51577       0.8359630 
1 1 1 6  18 14 o 10.76149       0.5009298     11.03209       0.7440444     10.53715       0.6774700 
1 1 1 6  18 15 o 4.645124       0.4838119     5.304440       0.7159110     4.090892       0.6563845 
1 1 1 6  18 16 o 1.519123       0.4770919     1.527580       0.7449728     1.513243       0.6211900 
1 1 1 6  18 17 f 6.689958       0.4882158     6.545050       0.7862412     6.780894       0.6228427 
1 1 1 6  18 18 o 14.42789       0.5355375     14.30894       0.8266985     14.51391       0.7029821 
1 1 1 6  18 19 o 5.744417       0.4843447     5.964458       0.7890744     5.611394       0.6135210 
1 1 1 6  18 20 f 4.303962       0.4730553     5.080095       0.7804841     3.853273       0.5947504 
1 1 1 6  18 21 o 5.790565       0.4883619     6.317915       0.7783718     5.448204       0.6271621 
1 1 1 6  18 22 o 1.765356       0.5005025     3.440720       0.7727609     0.5546960      0.6569034 
1 1 1 6  18 23 o 1.446042       0.4756209     0.9678701      0.6602103     1.961965       0.6857770 
1 1 1 6  18 24 o 1.491377       0.4839285     1.572740       0.6793595     1.407564       0.6895100 
1 1 1 6  18 25 o 0.9720797      0.4948941     1.404819       0.7022567     0.5451354      0.6975390 
1 1 1 6  18 26 o 0.2850254      0.5073988     0.5356417      0.7089750     0.2187616E-01  0.7264862 
1 1 1 6  18 27 o -0.2081867E-01 0.5159976     -0.4835379     0.7404241     0.4161029      0.7194878 
1 1 1 6  18 28 o -0.7323090     0.5258225     -0.8802658     0.7594559     -0.5960764     0.7287452 
1 1 1 6  18 29 o 0.3889470      0.5803467     -0.2999995E-04 0.7985274     0.8244167      0.8449029 
1 1 1 6  19 0  o 1.603629       0.7350198     1.603629       0.5197375     ?              ?         
1 1 1 6  19 1  o 3.512252       0.5289465     3.400482       0.7400728     3.628971       0.7562769 
1 1 1 6  19 2  o 8.228416       0.5227047     6.455457       0.7143032     10.27226       0.7669317 
1 1 1 6  19 3  f 5.774088       0.5419599     6.005681       0.7413715     5.508280       0.7942523 
1 1 1 6  19 4  o 0.7938946      0.5166230     0.1091003      0.6972319     1.627578       0.7693040 
1 1 1 6  19 5  o 4.860075       0.5312283     5.059520       0.7415419     4.649808       0.7613918 
1 1 1 6  19 6  o 7.825919       0.5628077     7.122016       0.7474810     8.747346       0.8552136 
1 1 1 6  19 7  o 11.93055       0.5644236     11.33544       0.7709229     12.61809       0.8286283 
1 1 1 6  19 8  o 7.270470       0.5258957     6.778745       0.7595702     7.723210       0.7288389 
1 1 1 6  19 9  o 0.8904276      0.4910613     1.021008       0.6934816     0.7591032      0.6954538 
1 1 1 6  19 10 o 6.508442       0.5202973     6.827154       0.7617909     6.229781       0.7123207 
1 1 1 6  19 11 o 2.078970       0.5013715     2.202137       0.7197187     1.962846       0.6988353 
1 1 1 6  19 12 o 1.057356       0.4741964     0.8823103      0.7110314     1.197579       0.6363897 
1 1 1 6  19 13 o 9.803251       0.5127805     8.858755       0.7495136     10.63433       0.7030743 
1 1 1 6  19 14 o 5.079474       0.4920574     5.933867       0.7288058     4.363769       0.6670378 
1 1 1 6  19 15 o 7.380186       0.4821095     7.015599       0.7188047     7.678306       0.6499889 
1 1 1 6  19 16 o 10.24378       0.5116387     10.52779       0.7656825     10.01466       0.6877138 
1 1 1 6  19 17 o 3.878346       0.4829959     4.123531       0.7610760     3.713011       0.6249768 
1 1 1 6  19 18 o 7.806961       0.4940161     7.895799       0.7691311     7.744571       0.6445510 
1 1 1 6  19 19 o 7.616936       0.5036447     6.124711       0.8034945     8.582669       0.6463896 
1 1 1 6  19 21 o 8.077394       0.5325541     7.850731       0.9055065     8.197255       0.6584760 
1 1 1 6  19 22 o 3.224982       0.4882649     2.941714       0.8064114     3.388935       0.6135048 
1 1 1 6  19 23 o 1.600590       0.5165268     1.397963       0.7977731     1.746843       0.6777688 
1 1 1 6  19 24 o 0.2837610      0.4745684     0.9309749      0.6621097     -0.4000106     0.6805524 
1 1 1 6  19 25 o 0.6136034      0.5034102     0.2891157      0.6968862     0.9677039      0.7279910 
1 1 1 6  19 26 o 0.6920209      0.5203939     1.024740       0.7287889     0.3458997      0.7433226 
1 1 1 6  19 27 o 0.2632304      0.5287189     0.9616061E-01  0.7506384     0.4277283      0.7448383 
1 1 1 6  19 28 o 0.3328652      0.5378554     -0.9649128     0.7620143     1.621339       0.7592779 
1 1 1 6  20 0  o 3.517208       0.7542247     3.517208       0.5333174     ?              ?         
1 1 1 6  20 1  o 12.06254       0.5580381     12.10231       0.7745699     12.01962       0.8046599 
1 1 1 6  20 2  o 1.433799       0.5198185     1.545520       0.7275869     1.317319       0.7429218 
1 1 1 6  20 3  o 0.7302771      0.5390975     1.158689       0.7340736     0.2287116      0.7942786 
1 1 1 6  20 4  o 8.210476       0.5630049     8.332349       0.7702510     8.070668       0.8249819 
1 1 1 6  20 5  o 2.505887       0.5406383     2.409578       0.7450358     2.613007       0.7857434 
1 1 1 6  20 6  o 4.368494       0.5525734     4.004601       0.7131765     4.915071       0.8740498 
1 1 1 6  20 7  f 13.47253       0.5937986     14.02098       0.8157140     12.85429       0.8660619 
1 1 1 6  20 8  o 20.35596       0.5902244     20.64149       0.8362855     20.07257       0.8331302 
1 1 1 6  20 9  o 8.764063       0.5376207     8.504150       0.7782838     9.001279       0.7435274 
1 1 1 6  20 10 o 7.531301       0.5063586     7.316498       0.7207621     7.740634       0.7115257 
1 1 1 6  20 11 o 3.055290       0.4988510     2.743006       0.7337356     3.323712       0.6802592 
1 1 1 6  20 12 o 9.639216       0.5276439     9.321650       0.7828214     9.903608       0.7142819 
1 1 1 6  20 13 f 5.923739       1.008433      0.7026752      1.020295      226.5493       6.632454  
1 1 1 6  20 14 o 4.103165       0.4982617     4.270075       0.7412707     3.965596       0.6729678 
1 1 1 6  20 15 o 14.21261       0.5354773     14.08699       0.7843989     14.32225       0.7327911 
1 1 1 6  20 16 o 7.631631       0.4948947     7.129326       0.7363381     8.045476       0.6683629 
1 1 1 6  20 17 o 7.468097       0.4825370     7.689106       0.7450415     7.308404       0.6333124 
1 1 1 6  20 18 o 3.104635       0.4741398     4.041731       0.7699497     2.532191       0.6017783 
1 1 1 6  20 19 o 2.341362       0.4719908     2.568518       0.7857766     2.213142       0.5903584 
1 1 1 6  20 20 o 1.164699       0.4751495     0.8425025      0.7558673     1.375197       0.6109544 
1 1 1 6  20 21 f 1.247270       0.4916590     1.115055       0.8033363     1.326453       0.6216912 
1 1 1 6  20 22 o 0.5617408      0.4976184     1.869645       0.7981305     -0.2699960     0.6364715 
1 1 1 6  20 23 o 3.001643       0.5529438     3.044753       0.8555925     2.970723       0.7245937 
1 1 1 6  20 24 o 0.6471760      0.5748843     0.3941492E-01  0.8448960     1.171126       0.7844799 
1 1 1 6  20 25 o 1.087862       0.5777822     0.7143300      0.8957799     1.353974       0.7560825 
1 1 1 6  20 26 o -0.5958611     0.5302796     -0.8075513     0.7447607     -0.3781915     0.7552056 
1 1 1 6  20 27 o 0.2368709      0.5968514     -0.2562208     0.8478814     0.7212070      0.8403201 
1 1 1 6  21 0  o 4.118342       0.7646475     4.118342       0.5406874     ?              ?         
1 1 1 6  21 1  o 0.9132022      0.5203499     1.415988       0.7305878     0.3955629      0.7413010 
1 1 1 6  21 2  f 0.1730658      0.5081913     0.4937997      0.7141398     -0.1559766     0.7233304 
1 1 1 6  21 3  o 4.808945       0.5215630     4.939929       0.7231637     4.666953       0.7529400 
1 1 1 6  21 4  o 4.408523       0.5458962     4.403480       0.7499790     4.414205       0.7961124 
1 1 1 6  21 5  o 3.575619       0.5460793     3.622054       0.7483327     3.522727       0.7986680 
1 1 1 6  21 6  o 8.619956       0.5710796     8.304255       0.7435098     9.074176       0.8918288 
1 1 1 6  21 7  o 10.48058       0.5966970     9.823259       0.7813454     11.40033       0.9242571 
1 1 1 6  21 8  o 17.59658       0.5833411     17.03543       0.8390649     18.12154       0.8115603 
1 1 1 6  21 9  o 10.71381       0.5670565     8.145317       0.8506365     12.76815       0.7607493 
1 1 1 6  21 10 o 8.712045       0.5224586     8.284753       0.7626777     9.089853       0.7171575 
1 1 1 6  21 11 o 9.079249       0.5301847     9.485938       0.7797187     8.729508       0.7230705 
1 1 1 6  21 12 o 13.50281       0.5336235     13.21224       0.7807741     13.75751       0.7309978 
1 1 1 6  21 13 o 11.50816       0.5364224     12.61848       0.7898931     10.55781       0.7307820 
1 1 1 6  21 14 o 3.057699       0.4978425     2.861504       0.7420717     3.218275       0.6713410 
1 1 1 6  21 15 o 0.6986933      0.4687221     1.071875       0.6885768     0.3764602      0.6398485 
1 1 1 6  21 16 f -0.3640369E-01 0.4702892     -0.2102148     0.7119752     0.9813322E-01  0.6263928 
1 1 1 6  21 17 o 0.4012648      0.4558047     0.8156340      0.7170281     0.1202709      0.5904605 
1 1 1 6  21 18 o 0.2233093E-01  0.4798234     -0.8534209     0.7852504     0.5441507      0.6061469 
1 1 1 6  21 19 o -0.1070354     0.4741505     0.3676409      0.7865315     -0.3780171     0.5942748 
1 1 1 6  21 20 o -0.1563274     0.4870123     0.5577969      0.8250800     -0.5381710     0.6033258 
1 1 1 6  21 21 o 0.1564238      0.5233943     -0.5351970     0.8388463     0.5973226      0.6697578 
1 1 1 6  21 22 f 0.7230741      0.5251784     0.4074410      0.8408220     0.9249797      0.6724918 
1 1 1 6  21 23 o 1.335113       0.5416909     2.121460       0.8791350     0.8538581      0.6877581 
1 1 1 6  21 24 o 0.8412501      0.5976897     0.3930907      0.9391385     1.146344       0.7748721 
1 1 1 6  21 25 o 1.590444       0.5887543     1.196199       0.9039013     1.880955       0.7759231 
1 1 1 6  22 0  o 0.7843940      0.7364193     0.7843940      0.5207270     ?              ?         
1 1 1 6  22 1  o 5.081214       0.5251480     4.319267       0.7375114     5.864864       0.7479413 
1 1 1 6  22 2  o 12.80538       0.5670779     12.42099       0.7941801     13.20523       0.8099922 
1 1 1 6  22 3  o 9.037021       0.5438756     9.214588       0.7629740     8.853580       0.7754913 
1 1 1 6  22 4  o 15.15209       0.6000205     14.50558       0.8433487     15.81483       0.8538632 
1 1 1 6  22 5  o 13.74865       0.5778458     13.05478       0.7860242     14.56465       0.8524003 
1 1 1 6  22 6  o 15.40895       0.5924559     15.83449       0.8301557     14.96724       0.8457811 
1 1 1 6  22 7  o 16.15806       0.6336886     15.62558       0.8352611     16.88019       0.9727004 
1 1 1 6  22 8  o 10.34580       0.5578831     9.855034       0.7864395     10.84291       0.7915165 
1 1 1 6  22 9  o 11.53653       0.5338559     11.45478       0.7632352     11.61484       0.7469991 
1 1 1 6  22 10 o 11.07299       0.5470806     10.20543       0.7881097     11.87983       0.7600318 
1 1 1 6  22 11 o 13.28563       0.5557418     13.68424       0.8177083     12.94347       0.7576038 
1 1 1 6  22 12 o 2.588286       0.5073520     2.660529       0.7391692     2.523934       0.6976386 
1 1 1 6  22 13 o 0.5922572      0.4957051     -0.5132962     0.7482537     1.456977       0.6617544 
1 1 1 6  22 14 o 3.863871       0.4882922     3.563196       0.7141815     4.127800       0.6691180 
1 1 1 6  22 15 o 2.711729       0.5015656     3.173206       0.7457334     2.330535       0.6777692 
1 1 1 6  22 16 o 4.541147       0.4954723     4.849966       0.7634047     4.316379       0.6512831 
1 1 1 6  22 17 f 1.507977       0.4980147     1.351092       0.7498427     1.631800       0.6661590 
1 1 1 6  22 18 o -0.1884557     0.4957658     -0.1479083     0.7627015     -0.2181223     0.6523894 
1 1 1 6  22 19 o 0.1783143      0.5066505     0.6082478      0.8313490     -0.7571395E-01 0.6390337 
1 1 1 6  22 20 o 1.569847       0.5247613     2.051674       0.8621585     1.286301       0.6613823 
1 1 1 6  22 21 o 0.5967207      0.5490111     0.8372371      0.8849409     0.4462250      0.7000094 
1 1 1 6  22 22 o 0.8914901      0.5428525     1.423885       0.9022925     0.5894533      0.6796107 
1 1 1 6  22 23 o 0.6776392      0.5570011     -0.9073759     0.9120330     1.620497       0.7034237 
1 1 1 6  22 24 o -0.2318582     0.5913495     0.8861817      0.9216275     -1.014267      0.7709811 
1 1 1 6  23 0  o 7.901419       0.7694789     7.901419       0.5441037     ?              ?         
1 1 1 6  23 1  o 6.374596       0.5674012     5.500731       0.7673719     7.428620       0.8427702 
1 1 1 6  23 2  o 3.012688       0.5195663     3.015416       0.7238595     3.009789       0.7462054 
1 1 1 6  23 3  o 6.096795       0.5530049     6.385898       0.7772719     5.800447       0.7869521 
1 1 1 6  23 4  o 13.08230       0.5875195     13.62902       0.8249775     12.51964       0.8369070 
1 1 1 6  23 5  o 12.10085       0.5706645     12.52233       0.7875611     11.63493       0.8280428 
1 1 1 6  23 6  o 8.921877       0.5608606     9.459251       0.7798141     8.346024       0.8072505 
1 1 1 6  23 7  o 3.023764       0.5878172     3.240235       0.7649871     2.711690       0.9185100 
1 1 1 6  23 8  o 3.456506       0.5329017     3.342015       0.7630484     3.565518       0.7445651 
1 1 1 6  23 9  o 8.825326       0.5653158     8.470279       0.7855632     9.206691       0.8141580 
1 1 1 6  23 10 o 8.535153       0.5167062     8.319719       0.7538840     8.726017       0.7095915 
1 1 1 6  23 11 o 8.391421       0.5404280     7.190712       0.8092661     9.357888       0.7260492 
1 1 1 6  23 12 o 8.225912       0.5237237     8.072812       0.7904618     8.345707       0.6992173 
1 1 1 6  23 13 o 6.568578       0.5134153     6.510850       0.7805722     6.612596       0.6816063 
1 1 1 6  23 14 o 2.070702       0.4992998     3.428062       0.7602421     1.041120       0.6621170 
1 1 1 6  23 15 o 0.7598807      0.5035530     0.5297741      0.7595409     0.9403338      0.6726184 
1 1 1 6  23 16 o 0.5690108      0.4960145     0.4249815      0.7725711     0.6700141      0.6469651 
1 1 1 6  23 17 o -0.3301239     0.5131878     -1.349534      0.7771007     0.4582902      0.6834078 
1 1 1 6  23 18 o 0.3552743      0.5015211     0.3569808      0.7876497     0.3541107      0.6504089 
1 1 1 6  23 19 o 4.504190       0.5590094     3.778483       0.8960800     4.966560       0.7152545 
1 1 1 6  23 20 o 2.798948       0.5468646     2.890977       0.9033177     2.745705       0.6870807 
1 1 1 6  23 21 o -0.1846310     0.5683809     0.9582852      0.9228529     -0.8831297     0.7214531 
1 1 1 6  23 22 o 0.3125063      0.5590065     -0.7238964     0.9485390     0.8640093      0.6919343 
1 1 1 6  23 23 o 1.475100       0.6006640     2.565668       0.9710215     0.7991272      0.7644815 
1 1 1 6  24 0  o 3.491591       0.7719741     3.491591       0.5458682     ?              ?         
1 1 1 6  24 1  f 4.791433       0.5430359     3.912321       0.7484779     5.768474       0.7890660 
1 1 1 6  24 2  f 10.22820       0.5753190     10.88715       0.8023404     9.530840       0.8253973 
1 1 1 6  24 3  f 12.19569       0.5860870     11.80662       0.8057780     12.63276       0.8540294 
1 1 1 6  24 4  o 11.71610       0.5850793     11.57994       0.8024011     11.87067       0.8549508 
1 1 1 6  24 5  o 11.85124       0.5897143     12.06672       0.7966922     11.59010       0.8770512 
1 1 1 6  24 6  o 5.138304       0.5556123     4.960566       0.7704059     5.330948       0.8020585 
1 1 1 6  24 7  o 0.7247479      0.5243504     -0.6535005E-01 0.7461850     1.495488       0.7369875 
1 1 1 6  24 8  o 0.2242007      0.5304212     0.9514049E-01  0.7430344     0.3583104      0.7574305 
1 1 1 6  24 9  o 4.701905       0.5420597     4.821877       0.7530649     4.572910       0.7808671 
1 1 1 6  24 10 o 0.7513063      0.5241627     0.8094399      0.7345076     0.6909787      0.7482393 
1 1 1 6  24 11 f 0.3375424      0.4908931     0.2833326      0.7244337     0.3835677      0.6675101 
1 1 1 6  24 12 f 0.3849507      0.4990012     1.302265       0.7593787     -0.3121668     0.6619914 
1 1 1 6  24 13 o -0.9210213E-02 0.5149512     0.5911471      0.7716467     -0.4912480     0.6914394 
1 1 1 6  24 14 o 0.3800229      0.5124586     0.3941653      0.7759295     0.3690819      0.6824824 
1 1 1 6  24 15 o 0.2786948E-01  0.5245644     -0.5299582     0.8077736     0.4346646      0.6898069 
1 1 1 6  24 16 f 1.051975       0.5279353     1.770929       0.8254728     0.5543612      0.6867493 
1 1 1 6  24 17 o 0.4678328      0.5485696     0.8961526      0.8394189     0.1485484      0.7247422 
1 1 1 6  24 18 o 0.8468751      0.5341744     1.203027       0.8543037     0.6182430      0.6844837 
1 1 1 6  24 19 o -0.6195413     0.5411720     -0.2824683     0.8601733     -0.8403708     0.6962297 
1 1 1 6  24 20 o 1.402473       0.5900692     1.490603       0.9565563     1.348338       0.7497070 
1 1 1 6  24 21 o 2.717532       0.5752442     1.927841       0.9239750     3.217343       0.7350803 
1 1 1 6  25 0  o 8.356380       0.8217086     8.356380       0.5810357     ?              ?         
1 1 1 6  25 1  o 7.506743       0.5689715     7.772977       0.7809966     7.205627       0.8305851 
1 1 1 6  25 2  o 4.372874       0.5519453     3.370093       0.7719602     5.421666       0.7894715 
1 1 1 6  25 3  o 3.861523       0.5812739     4.057842       0.8052889     3.647970       0.8398933 
1 1 1 6  25 4  f 6.177818       0.7106839     5.694685       1.059395      6.573149       0.9583084 
1 1 1 6  25 5  o 5.584715       0.5929205     7.386797       0.8550841     3.915834       0.8228756 
1 1 1 6  25 6  o 1.380732       0.5868357     1.205163       0.8139998     1.570731       0.8467934 
1 1 1 6  25 7  f 4.471962       0.5801769     5.111638       0.8210096     3.833891       0.8199795 
1 1 1 6  25 8  o 9.371413       0.6053300     9.644208       0.8585343     9.101733       0.8536189 
1 1 1 6  25 9  o 5.818037       0.5890962     5.473397       0.8188257     6.187817       0.8481644 
1 1 1 6  25 10 o 0.7002054      0.5792150     0.2295155      0.8190429     1.171104       0.8192245 
1 1 1 6  25 11 f -0.1477724     0.5552860     0.2349883      0.8145930     -0.4800221     0.7589431 
1 1 1 6  25 12 o 0.9938106      0.5549304     1.121005       0.7941211     0.8724238      0.7757805 
1 1 1 6  25 13 o 0.2112653      0.5264971     -0.1911494E-01 0.7758272     0.4079377      0.7168266 
1 1 1 6  25 14 o 0.6715520      0.5394605     0.1576396      0.7988219     1.102431       0.7314472 
1 1 1 6  25 15 o 0.4544459      0.5577800     0.7933221      0.8081533     0.1461629      0.7708112 
1 1 1 6  25 16 f 0.3632501E-01  0.5514118     -0.3039902     0.8112472     0.3285707      0.7517727 
1 1 1 6  25 17 f 0.7293423      0.5774890     1.025655       0.8793747     0.5046563      0.7657499 
1 1 1 6  25 18 o 0.1621247      0.5569423     -0.3922368     0.8772030     0.5365083      0.7208782 
1 1 1 6  25 19 o -0.9622463E-01 0.5737867     -0.4134415E-01 0.8957295     -0.1344161     0.7472241 
1 1 1 6  26 0  o 4.019507       0.8450848     4.019507       0.5975652     ?              ?         
1 1 1 6  26 1  o 2.404303       0.5713429     2.128629       0.8168389     2.668361       0.7994438 
1 1 1 6  26 2  f 1.896770       0.5669263     2.326789       0.7742080     1.399596       0.8324682 
1 1 1 6  26 3  o 4.287418       0.5973312     4.809247       0.8265150     3.716845       0.8642560 
1 1 1 6  26 4  o 3.372375       0.6003587     3.731730       0.8386599     2.994670       0.8598059 
1 1 1 6  26 5  o -0.2429835     0.6010134     -0.6969696     0.8469118     0.2176006      0.8530440 
1 1 1 6  26 6  o 0.9691837      0.5656904     2.173629       0.7594824     -0.5316627     0.8477979 
1 1 1 6  26 7  o 1.934483       0.5545248     1.098872       0.8498327     2.554057       0.7317757 
1 1 1 6  26 8  o 1.212438       0.6019487     1.404809       0.8296614     0.9986181      0.8746903 
1 1 1 6  26 10 o -0.3842236     0.5979207     0.6658747      0.8470054     -1.427320      0.8441767 
1 1 1 6  26 11 o -0.2209805     0.5951211     -0.5240641     0.8504879     0.6979508E-01  0.8330401 
1 1 1 6  26 12 o 0.5334769      0.5833338     0.3455651      0.8556552     0.6966503      0.7973452 
1 1 1 6  26 13 o 0.2172255      0.5779964     0.5298918      0.8377364     -0.6683534E-01 0.7984957 
1 1 1 6  26 14 o 0.8418853E-01  0.5613335     -0.1826772     0.8288136     0.3103312      0.7629599 
1 1 1 6  26 15 o 0.3923064      0.5866048     -0.9000620     0.9085289     1.316247       0.7681882 
1 1 1 6  26 16 o -0.9609959E-01 0.5749883     0.4080474      0.8827016     -0.4676893     0.7578220 
1 1 1 6  26 17 o -0.3088286     0.5843990     0.4213046      0.9019533     -0.8371296     0.7672268 
1 1 1 6  27 0  o -0.2694584     0.8657873     -0.2694584     0.6122041     ?              ?         
1 1 1 6  27 1  o -0.5550517E-01 0.6045812     0.8088320      0.8446047     -0.9637747     0.8658034 
1 1 1 6  27 2  o 1.070027       0.6084639     1.657562       0.8443710     0.4353592      0.8775857 
1 1 1 6  27 3  o 4.097473       0.6310915     3.706736       0.8907099     4.491364       0.8942970 
1 1 1 6  27 4  f 4.046691       0.6344333     5.310825       0.8808655     2.684088       0.9145295 
1 1 1 6  27 5  o 3.148420       0.6207898     2.470257       0.8434389     3.950087       0.9170293 
1 1 1 6  27 6  o 0.5386830      0.5937783     0.4359651      0.8403969     0.6410751      0.8390633 
1 1 1 6  27 7  f 0.6477759      0.6135045     0.6142307E-02  0.9459804     1.113556       0.8059892 
1 1 1 6  27 8  f 3.466977       0.6311615     3.377730       0.9009655     3.552984       0.8844576 
1 1 1 6  27 9  o 4.641265       0.6194009     5.498442       0.8627272     3.729381       0.8898319 
1 1 1 6  27 10 f 2.779976       0.6281841     2.056620       0.8930659     3.488367       0.8837798 
1 1 1 6  27 11 o 4.644874       0.6335292     5.294775       0.9182499     4.054493       0.8751915 
1 1 1 6  27 12 o 4.541522       0.6199450     3.849272       0.8976634     5.172778       0.8572047 
1 1 1 6  27 13 o 2.634983       0.6101863     1.947312       0.8861259     3.255093       0.8414721 
1 1 1 6  27 14 o 0.9000374      0.6113590     1.350711       0.8779047     0.4756999      0.8518676 
1 1 1 6  27 15 o 0.8194312      0.6011153     0.3374908      0.9458723     1.145951       0.7785568 
1 1 1 6  28 0  o -1.614411      0.8698951     -1.614411      0.6151087     ?              ?         
1 1 1 6  28 1  o 0.2030453      0.6480457     -0.3774420     0.9031885     0.8189924      0.9303657 
1 1 1 6  28 2  o 0.6241562      0.6119076     0.7185252E-01  0.8438489     1.236623       0.8886221 
1 1 1 6  28 3  o 1.546183       0.6578833     1.549296       0.9189246     1.542909       0.9422905 
1 1 1 6  28 4  o 1.789208       0.6506590     1.696714       0.9023898     1.889368       0.9390460 
1 1 1 6  28 5  o 0.3439771      0.6377178     -0.4099196E-01 0.8933662     0.7439595      0.9106197 
1 1 1 6  28 6  o 1.133882       0.6037232     1.862849       0.9158452     0.5736880      0.8028559 
1 1 1 6  28 7  o 1.249813       0.6070846     1.259782       0.9086752     1.241776       0.8158941 
1 1 1 6  28 8  o 0.7453022      0.6084746     0.2972567E-01  0.9171523     1.307886       0.8132182 
1 1 1 6  28 9  o 0.8217623      0.6373048     0.3917723      0.9076985     1.239811       0.8950056 
1 1 1 6  28 10 o 1.487126       0.6449273     -0.5794638     0.9127026     3.547951       0.9114285 
1 1 1 6  28 11 o 1.968922       0.6226448     1.495352       0.8693638     2.467680       0.8921850 
1 1 1 6  28 12 f 0.6132097      0.6429979     0.5295998      0.9486662     0.6842615      0.8745247 
1 1 1 6  29 0  f 0.4339854      0.9433717     0.4339854      0.6670645     ?              ?         
1 1 1 6  29 1  o 1.480608       0.6560655     1.418230       0.9464385     1.538308       0.9102526 
1 1 1 6  29 2  o 1.936475       0.6835144     1.786580       0.9646791     2.087591       0.9686033 
1 1 1 6  29 3  o 2.038231       0.6811047     2.180820       0.9487877     1.886620       0.9783471 
1 1 1 6  29 4  o 0.8292213      0.6461329     1.145710       0.9255552     0.5283542      0.9024236 
1 1 1 6  29 5  o 1.045247       0.6734161     0.5935106      0.9398537     1.521842       0.9653670 
1 1 1 6  29 6  o 0.9632174E-01  0.6219871     0.2823527      0.9376758     -0.4984820E-01 0.8311688 
1 1 1 6  29 7  o 1.243084       0.6222868     1.783248       0.9292023     0.8038067      0.8379480 
1 1 1 6  29 8  f 1.691870       0.6313031     1.616572       0.9545769     1.750405       0.8416439 
1 1 1 7  0  0  o -0.8562403E-01 0.2932312     -0.8562403E-01 0.2073458     ?              ?         
1 1 1 7  0  1  o 59.98718       0.9359944     59.98718       0.6618480     ?              ?         
1 1 1 7  0  2  o 172.2772       2.188702      172.2772       1.547646      ?              ?         
1 1 1 7  0  3  f 32.91916       0.5927290     32.91916       0.4191227     ?              ?         
1 1 1 7  0  4  o 202.3946       2.354961      202.3946       1.665209      ?              ?         
1 1 1 7  0  5  o 4.708720       0.2090785     4.708720       0.1478408     ?              ?         
1 1 1 7  0  6  o 139.0246       1.687557      139.0246       1.193283      ?              ?         
1 1 1 7  0  7  o 2.573023       0.1850710     2.573023       0.1308649     ?              ?         
1 1 1 7  0  8  o 0.2949853      0.1623467     0.2949853      0.1147964     ?              ?         
1 1 1 7  0  9  o 52.78922       0.7892930     52.78922       0.5581144     ?              ?         
1 1 1 7  0  10 o 38.18340       0.6783407     38.18340       0.4796593     ?              ?         
1 1 1 7  0  11 o 68.28318       1.087016      68.28318       0.7686365     ?              ?         
1 1 1 7  0  12 o 219.9013       2.896339      219.9013       2.048021      ?              ?         
1 1 1 7  0  13 f 6.002285       0.3425044     6.002285       0.2421872     ?              ?         
1 1 1 7  0  14 o 119.7347       1.821171      119.7347       1.287763      ?              ?         
1 1 1 7  0  15 f 46.99999       0.8743296     46.99999       0.6182443     ?              ?         
1 1 1 7  0  16 o 57.73170       1.043623      57.73170       0.7379529     ?              ?         
1 1 1 7  0  17 o 0.1160252      0.4261079     0.1160252      0.3013038     ?              ?         
1 1 1 7  0  18 o 32.52813       0.7681020     32.52813       0.5431302     ?              ?         
1 1 1 7  0  19 o 70.62285       1.286866      70.62285       0.9099520     ?              ?         
1 1 1 7  0  20 o 11.08964       0.6107944     11.08964       0.4318969     ?              ?         
1 1 1 7  0  21 o 28.34289       0.8130503     28.34289       0.5749134     ?              ?         
1 1 1 7  0  22 o 38.66319       0.9725367     38.66319       0.6876873     ?              ?         
1 1 1 7  0  23 o 12.88100       0.7482961     12.88100       0.5291252     ?              ?         
1 1 1 7  0  24 o 26.90766       0.8558472     26.90766       0.6051753     ?              ?         
1 1 1 7  0  25 f 13.37541       0.7444137     13.37541       0.5263800     ?              ?         
1 1 1 7  0  26 o 10.93462       0.6962221     10.93462       0.4923034     ?              ?         
1 1 1 7  0  27 o 2.000185       0.6672904     2.000185       0.4718456     ?              ?         
1 1 1 7  0  28 f 0.2552997      0.6494920     0.2552997      0.4592602     ?              ?         
1 1 1 7  0  29 o -0.6101595E-01 0.6712217     -0.6101595E-01 0.4746254     ?              ?         
1 1 1 7  0  30 o 1.295961       0.7154207     1.295961       0.5058789     ?              ?         
1 1 1 7  0  31 o -0.7876825     0.7159094     -0.7876825     0.5062244     ?              ?         
1 1 1 7  0  32 f -0.2780213     0.7492786     -0.2780213     0.5298200     ?              ?         
1 1 1 7  0  33 o 0.6222767      0.7700542     0.6222767      0.5445105     ?              ?         
1 1 1 7  0  34 o 0.3416023      0.7763706     0.3416023      0.5489769     ?              ?         
1 1 1 7  0  35 o -0.5327823     0.8118036     -0.5327823     0.5740318     ?              ?         
1 1 1 7  0  36 o 0.5761513      0.9326375     0.5761513      0.6594743     ?              ?         
1 1 1 7  1  0  o 544.3185       5.879230      544.3185       4.157244      ?              ?         
1 1 1 7  1  1  o 91.77499       0.9346656     92.88606       1.323167      90.66845       1.320470  
1 1 1 7  1  2  o 66.66520       0.7228678     65.93246       1.021192      67.40110       1.023391  
1 1 1 7  1  3  o 156.8679       1.389028      160.9245       1.931783      152.5256       1.998691  
1 1 1 7  1  4  f 42.85149       0.4882186     43.00059       0.6699432     42.68263       0.7129530 
1 1 1 7  1  5  o 12.49844       0.2137345     12.13574       0.3031117     12.85713       0.3014277 
1 1 1 7  1  6  f 10.52287       0.1884467     10.37456       0.2802010     10.64534       0.2546372 
1 1 1 7  1  7  o 35.66145       0.4353942     36.97579       0.6244928     34.41830       0.6073459 
1 1 1 7  1  8  o 18.56545       0.2881716     18.41815       0.4020836     18.72103       0.4132168 
1 1 1 7  1  9  o 32.42699       0.4025176     32.08425       0.5387524     32.86004       0.6055819 
1 1 1 7  1  10 f 0.8066586E-01  0.1451788     -0.4916621E-01 0.1811423     0.3138399      0.2427555 
1 1 1 7  1  11 o 102.3597       1.092548      100.7402       1.479560      104.3017       1.620192  
1 1 1 7  1  12 o 39.82479       0.5188553     39.97001       0.7341644     39.67987       0.7333806 
1 1 1 7  1  13 f 29.84827       0.4417238     31.05757       0.6272269     28.65833       0.6221873 
1 1 1 7  1  14 o 98.83061       1.220961      98.38108       1.649374      99.37557       1.816030  
1 1 1 7  1  15 o 256.4924       2.476630      256.0202       3.485460      256.9740       3.519761  
1 1 1 7  1  16 f 19.85456       0.3998255     19.06954       0.5633134     20.65155       0.5675883 
1 1 1 7  1  17 o 110.2257       1.253358      109.6794       1.766912      110.7790       1.778173  
1 1 1 7  1  18 o 26.26505       0.5061964     26.55565       0.6974970     25.94169       0.7357754 
1 1 1 7  1  19 o 11.34031       0.4077894     10.91615       0.5687425     11.78907       0.5850039 
1 1 1 7  1  20 o 160.6698       1.784541      160.5124       2.512609      160.8300       2.534984  
1 1 1 7  1  21 o 33.37682       0.6199164     33.04021       0.8694158     33.72495       0.8841586 
1 1 1 7  1  22 o 22.66010       0.5630204     22.59786       0.7935072     22.72320       0.7989832 
1 1 1 7  1  23 o 5.606217       0.4908637     5.699107       0.6913781     5.511802       0.6970285 
1 1 1 7  1  24 o 6.438140       0.4876448     7.272276       0.6871119     5.591644       0.6921839 
1 1 1 7  1  25 o 3.555601       0.4682662     3.569932       0.6697808     3.541898       0.6549258 
1 1 1 7  1  26 o 0.4955320      0.4581522     0.2447592      0.6437331     0.7529449      0.6521999 
1 1 1 7  1  27 o 2.265645       0.4537587     3.048133       0.6422327     1.485690       0.6411920 
1 1 1 7  1  28 o 0.9512981      0.4591646     0.4555365      0.6507788     1.442750       0.6479441 
1 1 1 7  1  29 f 0.2976505      0.4699367     0.1440158      0.6659871     0.4500034      0.6632034 
1 1 1 7  1  30 o 0.7173909      0.4947669     0.9256988      0.6859025     0.4914279      0.7143781 
1 1 1 7  1  32 o -0.5330178     0.5288237     -0.4169414     0.7518818     -0.6466492     0.7439210 
1 1 1 7  1  33 o 0.1633987      0.5651011     -0.1190717     0.7647983     0.5030511      0.8386443 
1 1 1 7  1  34 o 0.7925081      0.5726964     0.8927323      0.8089138     0.6917861      0.8109200 
1 1 1 7  1  35 o 0.1477930      0.5742639     0.4902849      0.8282270     -0.1693117     0.7969398 
1 1 1 7  1  36 o 0.7484319      0.8401459     0.6310376      1.425453      0.8109189      1.039978  
1 1 1 7  2  0  o 353.9120       3.934354      353.9120       2.782008      ?              ?         
1 1 1 7  2  1  o 4.240903       0.1715270     4.259961       0.2347883     4.219090       0.2511934 
1 1 1 7  2  2  o 47.64912       0.5398286     48.84373       0.7464200     46.33905       0.7816648 
1 1 1 7  2  3  o 69.53926       0.7093963     69.76448       1.008519      69.31870       0.9980385 
1 1 1 7  2  4  o 32.61567       0.3918392     31.20754       0.5490283     34.07754       0.5594062 
1 1 1 7  2  5  o 50.65660       0.5437091     51.20732       0.7773688     50.12917       0.7607424 
1 1 1 7  2  6  o 110.4323       1.031216      107.9772       1.423576      113.1429       1.495824  
1 1 1 7  2  7  o 62.39165       0.6973791     62.11041       0.9319544     62.74952       1.051278  
1 1 1 7  2  8  o 6.355970       0.2557988     5.819846       0.3917826     6.754335       0.3377170 
1 1 1 7  2  9  o 89.37244       1.137813      88.77435       1.603650      89.97876       1.614628  
1 1 1 7  2  10 f 1.705442       0.2694089     1.860720       0.3939185     1.568983       0.3692777 
1 1 1 7  2  11 o 32.40545       0.4715226     31.72485       0.5962646     33.54149       0.7703587 
1 1 1 7  2  12 o 188.4316       1.822809      187.0876       2.478869      190.0139       2.689702  
1 1 1 7  2  13 o 20.88783       0.3602112     20.14369       0.5028670     21.67203       0.5162267 
1 1 1 7  2  14 o 62.24150       0.7559057     61.23226       1.056484      63.30008       1.081997  
1 1 1 7  2  15 o 106.3992       1.182898      106.4915       1.664770      106.3051       1.681090  
1 1 1 7  2  16 o 60.13070       0.7633845     61.02485       1.082303      59.24545       1.076895  
1 1 1 7  2  17 o 6.879713       0.3305708     6.964437       0.4584826     6.787980       0.4770665 
1 1 1 7  2  18 o 11.27200       0.3771485     11.24124       0.5280586     11.30403       0.5388420 
1 1 1 7  2  19 o 24.39398       0.5008684     23.90313       0.7008955     24.90623       0.7160164 
1 1 1 7  2  20 o 26.77379       0.5393583     26.80307       0.7544830     26.74319       0.7713317 
1 1 1 7  2  21 o 21.33790       0.5255288     21.41650       0.7369904     21.25659       0.7495897 
1 1 1 7  2  22 o 28.07047       0.6088861     29.12140       0.8629242     27.02840       0.8592772 
1 1 1 7  2  23 o 0.5591447      0.6104119     1.731735       1.235420      0.1804278      0.7020996 
1 1 1 7  2  24 f 2.354326       0.4682678     1.800949       0.6494206     2.953625       0.6758299 
1 1 1 7  2  25 o 8.076971       0.4847298     7.308483       0.6688789     8.926950       0.7034498 
1 1 1 7  2  26 o 2.393814       0.4501776     2.431235       0.6282537     2.354325       0.6453863 
1 1 1 7  2  27 o 1.965082       0.6090664     3.021568       0.9254804     1.157927       0.8089356 
1 1 1 7  2  28 o 4.588623       0.4806102     3.866863       0.6762154     5.325389       0.6832095 
1 1 1 7  2  29 o 0.9306655E-01  0.4655192     0.1776992E-01  0.6614541     0.1669632      0.6552764 
1 1 1 7  2  30 o -0.5002363     0.4809835     -0.7784807     0.6794692     -0.2207698     0.6809599 
1 1 1 7  2  31 o 0.2693358      0.4881925     0.3373510      0.6852845     0.1992477      0.6956490 
1 1 1 7  2  32 o 0.1201390      0.5112756     0.3856210E-01  0.7160600     0.2049823      0.7302549 
1 1 1 7  2  33 o 0.2363144      0.5374894     0.7081580      0.7572454     -0.2427747     0.7630373 
1 1 1 7  2  34 o -0.1999875     0.5541819     -0.7020102     0.7988505     0.2657506      0.7694399 
1 1 1 7  2  35 o -0.2039892     0.5956473     0.3381479      0.8118320     -0.8361397     0.8766411 
1 1 1 7  3  0  f 265.3879       3.112931      265.3879       2.201174      ?              ?         
1 1 1 7  3  1  o 16.40574       0.2647069     17.36527       0.3792343     15.49407       0.3696538 
1 1 1 7  3  2  o 173.8647       1.542939      174.2897       2.182031      173.4396       2.182060  
1 1 1 7  3  3  o 66.64629       0.6867007     62.58979       0.9521802     71.04280       0.9912825 
1 1 1 7  3  4  o 31.24742       0.3884853     31.98434       0.5540291     30.53462       0.5448872 
1 1 1 7  3  5  o 158.1908       1.400222      157.4295       1.983455      158.9471       1.976987  
1 1 1 7  3  6  o 15.74308       0.2646170     16.74586       0.4013489     14.97196       0.3519484 
1 1 1 7  3  7  o 29.16044       0.4137402     27.89581       0.5513811     30.79006       0.6259143 
1 1 1 7  3  8  o 69.27815       0.8842251     68.72742       1.313436      69.73466       1.195793  
1 1 1 7  3  9  o 52.79182       0.7600604     50.05199       1.062382      55.66456       1.087845  
1 1 1 7  3  10 f 58.53490       0.8319334     58.81051       1.187794      58.26950       1.165584  
1 1 1 7  3  11 o 47.78108       0.6717822     47.57871       0.9279088     48.00397       0.9738418 
1 1 1 7  3  12 o 120.7621       1.205288      121.1995       1.612056      120.2077       1.815003  
1 1 1 7  3  13 o 134.9967       1.380230      134.1101       1.942590      135.9006       1.961427  
1 1 1 7  3  14 f 76.47020       0.8846161     76.31204       1.244127      76.63192       1.258062  
1 1 1 7  3  15 o 9.668924       0.2996765     10.32005       0.4153877     8.962195       0.4327590 
1 1 1 7  3  16 o 45.49319       0.6364112     45.91439       0.8958085     45.06398       0.9042944 
1 1 1 7  3  17 o 23.96588       0.4583375     24.09529       0.6433823     23.83253       0.6531011 
1 1 1 7  3  18 o 14.27943       0.4032265     14.52609       0.5654168     14.02415       0.5752059 
1 1 1 7  3  19 o 19.91076       0.4638645     19.55520       0.6479927     20.28445       0.6643187 
1 1 1 7  3  20 o 11.69728       0.4295988     11.58866       0.6020148     11.80999       0.6132295 
1 1 1 7  3  21 o 33.20388       0.6139831     33.22691       0.8664056     33.18064       0.8702134 
1 1 1 7  3  22 o 1.761027       0.4349736     1.984770       0.5973009     1.508395       0.6346915 
1 1 1 7  3  23 o 1.327976       0.4444248     0.8487914      0.6268796     1.812182       0.6301564 
1 1 1 7  3  24 f 6.131605       0.4690826     5.940721       0.6575609     6.329403       0.6693624 
1 1 1 7  3  25 f 2.826226       0.4643618     2.554213       0.6561933     3.099092       0.6572214 
1 1 1 7  3  26 o 4.046739       0.4657336     3.694900       0.6482291     4.422140       0.6695832 
1 1 1 7  3  27 o 3.049504       0.4630141     3.073813       0.6506946     3.024571       0.6589859 
1 1 1 7  3  28 f 1.598731       0.4637178     1.621527       0.6458802     1.574479       0.6661828 
1 1 1 7  3  29 o 0.5926536      0.4729638     1.167427       0.6558533     -0.3013414E-01 0.6826977 
1 1 1 7  3  30 o 0.3976069      0.4933663     0.2680384      0.7193504     0.5126872      0.6779402 
1 1 1 7  3  31 o 0.5308416      0.5040240     0.8056403      0.7123429     0.2553401      0.7132531 
1 1 1 7  3  32 o -0.1492484     0.5208911     0.2159077      0.7371668     -0.5133848     0.7361369 
1 1 1 7  3  33 o -0.2450981     0.5266250     -0.4014458     0.7481303     -0.9153619E-01 0.7414352 
1 1 1 7  3  34 o -0.6723752     0.5485249     -0.5620202     0.7690760     -0.7866346     0.7825626 
1 1 1 7  3  35 o 0.8563185      0.5843638     -0.7231907E-01 0.8117691     1.855135       0.8418838 
1 1 1 7  4  0  o 128.9435       1.654574      128.9435       1.169961      ?              ?         
1 1 1 7  4  1  o 105.2020       1.008058      107.6290       1.475875      103.0796       1.380152  
1 1 1 7  4  2  o 101.4249       0.9665551     102.0164       1.403083      100.8906       1.333408  
1 1 1 7  4  3  o 109.9819       1.058571      109.2179       1.497379      110.7452       1.496711  
1 1 1 7  4  4  o 177.7809       1.588973      174.9746       2.247393      180.5861       2.246900  
1 1 1 7  4  5  o 51.16278       0.5719862     48.65307       0.7981107     53.81309       0.8201612 
1 1 1 7  4  6  o 5.438782       0.1968016     4.285657       0.2932232     6.384021       0.2654795 
1 1 1 7  4  7  o 31.24755       0.4102079     30.38579       0.6022251     31.99347       0.5602859 
1 1 1 7  4  8  o 9.467788       0.2146348     9.740575       0.3251078     9.257031       0.2857632 
1 1 1 7  4  9  o 122.4177       1.247311      122.9054       1.725337      121.8836       1.805308  
1 1 1 7  4  10 o 2.953551       0.1802165     2.177487       0.2320290     4.133591       0.2861157 
1 1 1 7  4  11 o 34.88476       0.4897573     35.09288       0.6724150     34.64961       0.7147664 
1 1 1 7  4  12 o 109.4769       1.124485      107.4389       1.492128      112.1557       1.710713  
1 1 1 7  4  13 o 4.482594       0.2080256     4.693895       0.2656127     4.147349       0.3345644 
1 1 1 7  4  14 o 86.55018       0.9477892     86.41500       1.293106      86.70711       1.393242  
1 1 1 7  4  15 o 6.062281       0.2528277     6.628428       0.3251169     5.196080       0.4021464 
1 1 1 7  4  16 o 98.75885       1.130744      97.59834       1.583578      99.96605       1.615116  
1 1 1 7  4  17 o 12.29784       0.3683047     12.81625       0.5145280     11.75309       0.5274349 
1 1 1 7  4  18 o 3.652862       0.3344964     3.083246       0.4411011     4.423682       0.5131251 
1 1 1 7  4  19 o 39.57449       0.6329229     39.96040       0.8934994     39.18582       0.8966853 
1 1 1 7  4  20 o 32.47527       0.5903699     32.07071       0.8216344     32.90706       0.8488488 
1 1 1 7  4  21 o 7.135332       0.4385857     6.808047       0.5903615     7.538455       0.6552012 
1 1 1 7  4  22 o 20.50970       0.5415550     19.87860       0.7528254     21.18655       0.7796265 
1 1 1 7  4  23 o 30.60548       0.6269624     31.78599       0.8885798     29.43513       0.8847500 
1 1 1 7  4  24 o 5.833158       0.4669920     5.483966       0.6431144     6.222654       0.6792161 
1 1 1 7  4  25 o 7.612206       0.4682015     8.263180       0.6628135     6.963884       0.6614624 
1 1 1 7  4  26 o 10.02090       0.4889852     9.153630       0.6812340     10.94265       0.7023063 
1 1 1 7  4  27 o 4.652763       0.4579971     5.270397       0.6410107     4.008636       0.6546149 
1 1 1 7  4  28 f 1.534888       0.4586284     1.270046       0.6303068     1.832870       0.6685810 
1 1 1 7  4  29 o -0.2163422     0.4641250     -0.2866553     0.6495182     -0.1429811     0.6634472 
1 1 1 7  4  30 o 1.339933       0.4750182     0.8345832      0.6606196     1.880927       0.6835200 
1 1 1 7  4  31 o 0.4627218      0.5038614     -0.2274330     0.6902269     1.250070       0.7372285 
1 1 1 7  4  32 o 1.664922       0.5207634     1.508618       0.7277908     1.828910       0.7454687 
1 1 1 7  4  33 o -0.8260362     0.5455619     -0.7779234     0.7493241     -0.8803103     0.7958591 
1 1 1 7  4  34 o 0.1077060      0.5450078     0.2035735      0.7570941     0.4591768E-02  0.7851881 
1 1 1 7  4  35 o -0.3976077     0.5749358     -0.2428912     0.7922528     -0.5697364     0.8356453 
1 1 1 7  5  0  o 39.29649       0.6370676     39.29649       0.4504748     ?              ?         
1 1 1 7  5  1  o 120.6880       1.120886      121.7803       1.596647      119.6266       1.573943  
1 1 1 7  5  2  o 103.8316       1.006771      102.4979       1.458054      105.0469       1.391831  
1 1 1 7  5  3  o 219.9334       1.874623      220.8098       2.713835      219.1336       2.592556  
1 1 1 7  5  4  o 264.3877       2.190173      262.7107       3.166130      265.9265       3.032908  
1 1 1 7  5  5  o 59.40508       0.6750964     57.75985       0.9821367     60.87867       0.9294975 
1 1 1 7  5  6  o 132.9060       1.323891      129.6492       1.916536      135.8783       1.830925  
1 1 1 7  5  7  o 18.07766       0.3123738     17.94957       0.4598517     18.18741       0.4256542 
1 1 1 7  5  8  o 132.5605       1.340440      134.9464       1.920676      130.2950       1.871613  
1 1 1 7  5  9  o 203.5544       1.835065      203.2352       2.712655      203.8236       2.491742  
1 1 1 7  5  10 o 148.9671       1.431639      150.7122       2.120772      147.5060       1.940503  
1 1 1 7  5  11 o 67.92966       0.7809198     67.28844       1.119723      68.53693       1.089665  
1 1 1 7  5  12 o 157.4852       1.583120      153.1283       2.258435      161.6943       2.219806  
1 1 1 7  5  13 o 106.7165       1.113125      107.4001       1.527804      105.9431       1.625090  
1 1 1 7  5  14 f 36.62610       0.5114328     35.74695       0.6957175     37.65979       0.7543904 
1 1 1 7  5  15 o 72.40569       0.8461233     71.78714       1.155221      73.12154       1.242768  
1 1 1 7  5  16 o 74.24888       0.8797439     74.96940       1.204671      73.42551       1.287775  
1 1 1 7  5  17 o 3.455959       0.2923012     3.132839       0.3734014     3.967315       0.4697377 
1 1 1 7  5  18 o 5.073240       0.3517078     4.988593       0.4701955     5.180759       0.5299237 
1 1 1 7  5  19 f 10.23047       0.4051564     10.55072       0.5537671     9.861571       0.5943370 
1 1 1 7  5  20 o 18.39058       0.4984043     17.61474       0.6878196     19.24831       0.7232116 
1 1 1 7  5  21 f 5.269351       0.4390362     5.179983       0.5966615     5.374869       0.6483341 
1 1 1 7  5  22 o 21.81421       0.5572509     21.11771       0.7772634     22.55083       0.7993438 
1 1 1 7  5  23 o 0.2237752      0.4485952     -0.2005878     0.6071104     0.7340838      0.6657564 
1 1 1 7  5  24 o 2.037521       0.4390197     1.760420       0.6054199     2.344826       0.6375616 
1 1 1 7  5  25 o 2.231240       0.4434828     1.788389       0.6200017     2.695210       0.6346121 
1 1 1 7  5  26 o 9.286778       0.4802362     9.129103       0.6581005     9.466382       0.7023723 
1 1 1 7  5  27 o 2.477753       0.4450876     2.178753       0.6056989     2.828724       0.6562312 
1 1 1 7  5  28 o 11.67994       0.5059080     12.14585       0.7073973     11.19217       0.7238088 
1 1 1 7  5  29 o 1.745880       0.4714427     1.533271       0.6648896     1.960849       0.6685669 
1 1 1 7  5  30 o 3.178306       0.4814806     3.150035       0.6685938     3.208761       0.6939465 
1 1 1 7  5  31 o 0.4448129E-01  0.4968299     -0.5901603     0.6901810     0.7270445      0.7157645 
1 1 1 7  5  32 o 0.4723291      0.5150090     1.184172       0.7170378     -0.2862024     0.7401789 
1 1 1 7  5  33 o -0.4389391     0.5375740     -0.7938436     0.7324310     -0.2449447E-01 0.7914878 
1 1 1 7  5  34 o 1.302577       0.5440255     1.110615       0.7454315     1.521340       0.7957695 
1 1 1 7  5  35 o -0.1147002E-01 0.5787982     -0.6366931     0.7879350     0.7213130      0.8530226 
1 1 1 7  6  0  o 290.5279       3.350416      290.5279       2.369102      ?              ?         
1 1 1 7  6  1  f 134.6974       1.238494      131.1341       1.742662      138.3340       1.760463  
1 1 1 7  6  2  o 19.00326       0.3042948     18.73154       0.4304233     19.27476       0.4302525 
1 1 1 7  6  3  o 63.18662       0.6779512     63.66712       0.9888004     62.76036       0.9313154 
1 1 1 7  6  4  o 64.17048       0.6888747     64.71805       1.004849      63.68494       0.9462238 
1 1 1 7  6  5  o 112.5892       1.128228      109.7137       1.688043      114.9108       1.516773  
1 1 1 7  6  6  o 61.45775       0.6848233     61.81617       1.036222      61.17980       0.9125046 
1 1 1 7  6  7  o 35.84840       0.4751636     36.68934       0.7024240     35.13893       0.6451845 
1 1 1 7  6  8  o 52.66154       0.6501824     51.94631       0.9214181     53.37084       0.9175874 
1 1 1 7  6  9  o 16.35968       0.3094242     16.10003       0.4673458     16.56234       0.4128817 
1 1 1 7  6  10 f 11.43899       0.2732396     10.55297       0.4173551     12.10364       0.3614784 
1 1 1 7  6  11 o 13.49925       0.2967516     12.75110       0.4551273     14.05253       0.3913881 
1 1 1 7  6  12 o 14.68554       0.3350572     15.95090       0.4895353     13.57035       0.4595680 
1 1 1 7  6  13 o 47.73523       0.6074480     47.93805       0.8335710     47.50557       0.8870425 
1 1 1 7  6  14 o 42.28578       0.5711869     41.94594       0.7819433     42.67456       0.8363600 
1 1 1 7  6  15 o 25.21013       0.4455022     24.58559       0.5981489     25.98821       0.6676328 
1 1 1 7  6  16 o 22.23754       0.4299399     21.99617       0.5767434     22.53945       0.6450240 
1 1 1 7  6  17 o 40.90507       0.6064234     41.02802       0.8241491     40.75991       0.8955131 
1 1 1 7  6  18 o 10.26870       0.3710336     10.18487       0.4887486     10.38273       0.5700179 
1 1 1 7  6  19 o 21.86470       0.4799556     21.56550       0.6383240     22.25388       0.7280023 
1 1 1 7  6  20 o 15.73270       0.4480508     15.59431       0.5933983     15.91623       0.6833618 
1 1 1 7  6  21 f 21.26471       0.5114102     21.32364       0.6846642     21.19033       0.7691769 
1 1 1 7  6  22 o 3.300133       0.4353066     3.672167       0.5960160     2.874791       0.6372873 
1 1 1 7  6  23 o 5.231340       0.4513329     4.711204       0.6041349     5.888298       0.6789595 
1 1 1 7  6  24 o 1.534849       0.4423743     0.7490047      0.6042542     2.442524       0.6494069 
1 1 1 7  6  25 o 6.071274       0.4602342     5.983078       0.6416950     6.164700       0.6604488 
1 1 1 7  6  26 o -0.6613249     0.4407173     -1.076708      0.6008639     -0.1776448     0.6483819 
1 1 1 7  6  27 o 1.413229       0.4548287     1.159953       0.6255200     1.697359       0.6625238 
1 1 1 7  6  28 o -0.5730597     0.4490066     -0.7743104     0.6272557     -0.3615662     0.6430202 
1 1 1 7  6  29 f 1.355599       0.4616582     1.706429       0.6365586     0.9663224      0.6705320 
1 1 1 7  6  30 o -0.4901166E-01 0.4709038     0.1174785      0.6470628     -0.2364763     0.6866127 
1 1 1 7  6  31 o 0.6986536      0.4997222     0.5370367      0.6964094     0.8702030      0.7174897 
1 1 1 7  6  32 o 0.8715597      0.5160484     1.265075       0.6910806     0.3755717      0.7758601 
1 1 1 7  6  33 o -0.6303899     0.5283608     -0.5958960     0.7328069     -0.6677365     0.7625078 
1 1 1 7  6  34 o -0.1408453     0.5449885     -1.185237      0.7488346     1.035300       0.7946661 
1 1 1 7  6  35 f -0.6359300     0.5710219     -1.703063      0.7809460     0.5900840      0.8370654 
1 1 1 7  7  0  f 168.5582       2.134493      168.5582       1.509314      ?              ?         
1 1 1 7  7  1  o 128.2723       1.202876      129.9155       1.708597      126.6575       1.693746  
1 1 1 7  7  2  o 107.1334       1.041189      111.7103       1.499157      102.8685       1.447147  
1 1 1 7  7  3  o 149.3737       1.378414      150.1203       1.957793      148.6399       1.941058  
1 1 1 7  7  4  o 6.431572       0.2480040     5.775579       0.3651278     6.993419       0.3379123 
1 1 1 7  7  5  o 29.49139       0.4253015     29.86569       0.6463056     29.20552       0.5648289 
1 1 1 7  7  6  o 6.652910       0.2619238     6.109648       0.4026572     7.051397       0.3448561 
1 1 1 7  7  7  f 110.1712       1.125230      110.4447       1.689122      109.9529       1.508742  
1 1 1 7  7  8  o 76.59476       0.8671829     79.03673       1.278501      74.51402       1.180157  
1 1 1 7  7  9  o 223.2986       2.028986      225.9010       3.062308      221.2622       2.708918  
1 1 1 7  7  10 o 134.3564       1.373685      137.1475       2.046645      132.0681       1.853109  
1 1 1 7  7  11 o 410.0521       3.549447      409.3766       5.211280      410.6366       4.847763  
1 1 1 7  7  12 o 358.5025       3.183905      357.3729       4.699090      359.4612       4.329079  
1 1 1 7  7  13 o 106.5731       1.193600      104.1607       1.689724      108.9757       1.686292  
1 1 1 7  7  14 f 52.06630       0.6792957     51.69949       0.9315889     52.48278       0.9926549 
1 1 1 7  7  15 o 9.407597       0.3287855     9.301017       0.4460939     9.534342       0.4864715 
1 1 1 7  7  16 f 21.57022       0.4423240     21.87092       0.5976164     21.20592       0.6577844 
1 1 1 7  7  17 o 108.8638       1.218913      106.9128       1.661747      111.1361       1.793375  
1 1 1 7  7  18 o 11.74175       0.3940670     11.73119       0.5172114     11.75636       0.6084226 
1 1 1 7  7  19 o 20.89896       0.4875061     20.57958       0.6467478     21.31921       0.7418764 
1 1 1 7  7  20 o 9.741322       0.4275127     9.948320       0.5674782     9.469663       0.6500970 
1 1 1 7  7  21 o 0.5066007      0.3913716     0.1322452      0.4940876     1.137059       0.6411947 
1 1 1 7  7  22 f 15.35170       0.4822415     15.97671       0.6399898     14.53065       0.7335238 
1 1 1 7  7  23 o 26.48313       0.5713940     26.65528       0.7654794     26.26651       0.8586725 
1 1 1 7  7  24 o 12.15845       0.4622560     11.85012       0.6104331     12.57295       0.7077714 
1 1 1 7  7  25 o 15.03312       0.4932800     14.99310       0.6574607     15.08468       0.7461281 
1 1 1 7  7  26 o 5.967286       0.4558898     6.079509       0.6269403     5.841359       0.6641156 
1 1 1 7  7  27 o 4.526857       0.4515413     4.708976       0.6188661     4.319538       0.6602972 
1 1 1 7  7  28 o 1.188855       0.4570329     1.418012       0.6323220     0.9381847      0.6613381 
1 1 1 7  7  29 o 2.018683       0.4859879     2.417174       0.6657481     1.564089       0.7110696 
1 1 1 7  7  30 o 0.1517075      0.4799477     -0.1205739     0.6757845     0.4288189      0.6817518 
1 1 1 7  7  31 o -0.2298610     0.5001926     -1.059069      0.6899279     0.6888917      0.7262254 
1 1 1 7  7  32 o 0.4269026      0.5202270     -0.1471357     0.7031227     1.121243       0.7732980 
1 1 1 7  7  33 o 0.4062408      0.5544635     0.7715398      0.7696571     0.1211268E-01  0.7994508 
1 1 1 7  7  34 o -0.2171939     0.5482943     -0.4892886E-01 0.7554927     -0.4044466     0.7969800 
1 1 1 7  7  35 o -0.4016080     0.7131757     -0.6317967     0.9820184     -0.1447107     1.037427  
1 1 1 7  8  0  o 579.3943       6.149908      579.3943       4.348641      ?              ?         
1 1 1 7  8  1  o 8.640514       0.2668974     9.949418       0.3807415     7.375916       0.3742422 
1 1 1 7  8  2  o 114.9447       1.112036      112.1316       1.558459      117.8627       1.587248  
1 1 1 7  8  3  o 23.19831       0.3641909     22.70849       0.5135852     23.69373       0.5165147 
1 1 1 7  8  4  o 128.5877       1.258589      129.2788       1.834341      127.9730       1.730059  
1 1 1 7  8  5  o 29.34033       0.4266035     28.81889       0.6240568     29.79776       0.5845009 
1 1 1 7  8  6  o 32.14936       0.4599024     31.70359       0.6973605     32.49247       0.6118058 
1 1 1 7  8  7  o 144.5687       1.438576      144.2396       2.160372      144.8309       1.928264  
1 1 1 7  8  8  o 14.32960       0.3401513     14.72375       0.4992722     13.98816       0.4646814 
1 1 1 7  8  9  o 58.54578       0.6948685     59.56800       1.057119      57.76809       0.9220543 
1 1 1 7  8  11 o 51.96580       0.6476727     49.16078       0.9734326     54.19392       0.8675750 
1 1 1 7  8  12 o 2.536688       0.2739393     2.503924       0.4378628     2.557760       0.3511497 
1 1 1 7  8  13 o 33.71680       0.5233833     33.01270       0.7859350     34.27788       0.7015788 
1 1 1 7  8  14 o 32.85945       0.5525327     32.20804       0.7875997     33.49073       0.7753429 
1 1 1 7  8  15 o 37.46121       0.5758528     36.11509       0.7843464     39.03523       0.8481480 
1 1 1 7  8  16 f 18.92855       0.4313316     18.56153       0.5860897     19.36223       0.6370862 
1 1 1 7  8  17 o 43.50231       0.6485795     43.28278       0.8866156     43.75502       0.9512515 
1 1 1 7  8  18 o 20.43816       0.4744143     19.61286       0.6264892     21.54765       0.7263868 
1 1 1 7  8  19 o 31.83614       0.5911752     31.19312       0.7958576     32.62770       0.8830147 
1 1 1 7  8  20 o 57.17214       0.8098616     56.95405       1.109147      57.42119       1.185273  
1 1 1 7  8  21 f 24.06937       0.5528100     24.22040       0.7402887     23.87899       0.8311608 
1 1 1 7  8  22 o 19.07214       0.5216468     18.83125       0.6918881     19.38943       0.7940609 
1 1 1 7  8  23 o 1.339252       0.4764459     1.929176       0.6015793     0.3465442      0.7803787 
1 1 1 7  8  24 o 6.002219       0.4309434     6.301034       0.5786043     5.629955       0.6458113 
1 1 1 7  8  25 o 0.2485384      0.4105231     0.5778400      0.5466273     -0.1774690     0.6217316 
1 1 1 7  8  26 o 3.402331       0.4286585     3.233207       0.5641896     3.633276       0.6592885 
1 1 1 7  8  27 o 1.725079       0.4286062     2.134530       0.5632671     1.161933       0.6605780 
1 1 1 7  8  28 o 3.823338       0.4517785     3.596684       0.5920801     4.139210       0.6989625 
1 1 1 7  8  29 o 1.434126       0.4345351     1.411450       0.5732577     1.464752       0.6662169 
1 1 1 7  8  30 o 1.224009       0.4861739     1.746897       0.6741323     0.6573042      0.7018101 
1 1 1 7  8  31 o -0.2432069     0.5006495     -0.6442007     0.6835878     0.2207329      0.7352861 
1 1 1 7  8  32 o 0.3464515      0.5313714     0.5019082      0.7335755     0.1748410      0.7707472 
1 1 1 7  8  33 o 0.1814813      0.5530809     1.169914       0.7678584     -0.8842619     0.7973223 
1 1 1 7  8  34 o -0.2499182E-01 0.5584254     0.6704171      0.7470415     -0.9056876     0.8406933 
1 1 1 7  9  0  o 135.5405       1.825279      135.5405       1.290667      ?              ?         
1 1 1 7  9  1  o 175.9706       1.624913      175.2538       2.294459      176.6918       2.301506  
1 1 1 7  9  2  o 252.1238       2.206079      248.8515       3.115099      255.4161       3.124657  
1 1 1 7  9  3  f 100.2241       1.032044      97.47320       1.488138      102.7732       1.432512  
1 1 1 7  9  4  o 18.38607       0.3627742     18.20433       0.5341340     18.54169       0.4942630 
1 1 1 7  9  5  o 127.7249       1.262089      125.4483       1.826195      129.8064       1.746216  
1 1 1 7  9  6  o 179.1986       1.697112      182.1967       2.486403      176.5835       2.322163  
1 1 1 7  9  7  o 271.5089       2.553225      276.6957       3.752048      267.0356       3.484401  
1 1 1 7  9  8  o 273.4349       2.598705      274.5033       3.780041      272.4774       3.578484  
1 1 1 7  9  9  o 228.0109       2.156427      236.3206       3.286406      221.7281       2.857644  
1 1 1 7  9  10 o 235.3922       2.218255      237.1732       3.358191      234.0136       2.954595  
1 1 1 7  9  11 o 64.14091       0.7694733     66.01691       1.176198      62.73728       1.017393  
1 1 1 7  9  12 o 28.00410       0.4708595     27.66554       0.7280404     28.24755       0.6173565 
1 1 1 7  9  13 o 78.18005       0.9073270     78.32073       1.383268      78.07381       1.202041  
1 1 1 7  9  14 o 33.40780       0.5332962     32.67526       0.8240346     33.93573       0.6995519 
1 1 1 7  9  15 o 40.13179       0.6107390     41.23631       0.8394528     38.88967       0.8902112 
1 1 1 7  9  16 f 62.81027       0.8173122     62.95031       1.122903      62.65249       1.191887  
1 1 1 7  9  17 f 104.3526       1.205927      105.6141       1.664414      102.9585       1.749654  
1 1 1 7  9  18 o 38.94158       0.6381895     38.18919       0.8695772     39.81993       0.9395515 
1 1 1 7  9  19 o 24.67996       0.5374520     24.62259       0.7228811     24.75087       0.8036650 
1 1 1 7  9  20 o 16.91025       0.4987284     17.45742       0.6710570     16.23512       0.7454041 
1 1 1 7  9  21 f 6.070207       0.4317016     6.385097       0.5648581     5.627964       0.6694070 
1 1 1 7  9  22 f 9.887082       0.4658661     9.608363       0.6223618     10.24228       0.7025754 
1 1 1 7  9  23 o 24.54655       0.5620493     24.69334       0.7623066     24.37169       0.8319697 
1 1 1 7  9  24 o 7.869030       0.4449178     7.097874       0.5845259     8.931187       0.6860044 
1 1 1 7  9  25 o 15.70854       0.5041623     15.52077       0.6723269     15.94979       0.7620608 
1 1 1 7  9  26 o 0.6786397      0.4253828     0.7224364      0.5570707     0.6173846      0.6588118 
1 1 1 7  9  27 o 2.142543       0.4317241     2.167951       0.5656102     2.107078       0.6682444 
1 1 1 7  9  28 o 5.638130       0.4631597     5.563105       0.6205111     5.732514       0.6959794 
1 1 1 7  9  29 o 1.198989       0.4482717     1.613319       0.5928660     0.6459326      0.6849648 
1 1 1 7  9  30 o 0.9406152      0.5241897     1.133617       0.7577349     0.7634801      0.7259203 
1 1 1 7  9  31 o 0.1748982      0.4817360     0.3875983      0.6188431     -0.1522202     0.7674482 
1 1 1 7  9  32 o 0.6038119      0.4992857     0.2687566      0.6615736     1.047164       0.7610172 
1 1 1 7  9  33 o 0.1674268      0.5230156     0.1824391      0.6812682     0.1458792      0.8161932 
1 1 1 7  9  34 f 0.5164853      0.5419149     1.206136       0.7018814     -0.5014333     0.8527184 
1 1 1 7  10 0  o 204.5527       2.641935      204.5527       1.868130      ?              ?         
1 1 1 7  10 1  o 566.7348       4.479257      568.7359       6.382515      564.7927       6.287798  
1 1 1 7  10 2  f 58.38812       0.6711373     57.12262       0.9435212     59.68417       0.9548429 
1 1 1 7  10 3  f 128.9826       1.294391      128.7054       1.884519      129.2303       1.780958  
1 1 1 7  10 4  o 193.7866       1.841990      196.0693       2.686306      191.7608       2.530596  
1 1 1 7  10 5  o 141.7444       1.408121      142.7421       2.053105      140.8583       1.934915  
1 1 1 7  10 6  o 466.4289       3.939389      466.4594       5.705667      466.4010       5.445695  
1 1 1 7  10 7  o 175.9691       1.779681      176.0167       2.515267      175.9214       2.518434  
1 1 1 7  10 8  o 432.4213       3.873684      430.1716       5.605711      434.4774       5.359043  
1 1 1 7  10 9  o 125.4934       1.309835      124.9944       1.968492      125.8898       1.754665  
1 1 1 7  10 10 f 109.1773       1.180581      110.5300       1.788825      108.1334       1.571411  
1 1 1 7  10 11 o 6.646447       0.3405171     6.884443       0.5478600     6.496630       0.4346755 
1 1 1 7  10 12 o 55.78218       0.7251292     56.36333       1.110475      55.35017       0.9574354 
1 1 1 7  10 13 o 21.12183       0.4484744     20.85981       0.7009564     21.30342       0.5835419 
1 1 1 7  10 14 o 66.97778       0.8301981     67.19620       1.270172      66.81487       1.096940  
1 1 1 7  10 15 o 4.746083       0.3620481     4.764793       0.5926679     4.734943       0.4572906 
1 1 1 7  10 16 o 38.82826       0.6073737     37.94550       0.8471002     39.76223       0.8713242 
1 1 1 7  10 17 o 6.080101       0.3990178     6.253469       0.5593695     5.900486       0.5693559 
1 1 1 7  10 18 o 66.51775       0.8919861     66.74873       1.222940      66.25519       1.303863  
1 1 1 7  10 19 o 20.71966       0.5278187     20.54787       0.7133519     20.92748       0.7846250 
1 1 1 7  10 20 o 4.106666       0.4277596     4.261444       0.5745008     3.914102       0.6408021 
1 1 1 7  10 21 o 2.073812       0.4131328     2.355590       0.5488221     1.705356       0.6275828 
1 1 1 7  10 22 o 0.2801907      0.4101009     -0.7160931E-01 0.5477064     0.7291054      0.6187022 
1 1 1 7  10 23 o -0.4305432E-01 0.4127696     -0.3350602E-01 0.5340155     -0.5722605E-01 0.6505827 
1 1 1 7  10 24 o 1.304794       0.4179535     1.226753       0.5458475     1.415390       0.6498011 
1 1 1 7  10 25 o -0.2907448     0.4112984     -0.5307077     0.5413491     0.3690745E-01  0.6325748 
1 1 1 7  10 26 o 1.239724       0.4258685     0.9559760      0.5630791     1.618971       0.6509752 
1 1 1 7  10 27 o 2.041687       0.4292045     2.267050       0.5756194     1.759501       0.6441129 
1 1 1 7  10 28 o 1.480683       0.4448837     1.949792       0.5888447     0.8567818      0.6790810 
1 1 1 7  10 29 o 0.8339036      0.4524000     0.9813734      0.6085906     0.6517735      0.6763392 
1 1 1 7  10 30 o 1.408879       0.4848054     1.275779       0.6367102     1.592507       0.7478610 
1 1 1 7  10 31 o 0.7282497      0.4878034     0.6604328      0.6354179     0.8255767      0.7612146 
1 1 1 7  10 32 f 1.040429       0.5126279     0.7160835      0.6694857     1.500099       0.7970045 
1 1 1 7  10 33 o -0.2149809     0.5147203     -0.1391741     0.6657472     -0.3276339     0.8115711 
1 1 1 7  11 0  o 15.26566       0.5069826     15.26566       0.3584908     ?              ?         
1 1 1 7  11 1  o 20.09104       0.3923755     20.46116       0.5557098     19.72305       0.5540993 
1 1 1 7  11 2  o 23.76478       0.4301269     22.65160       0.6212693     24.78957       0.5960940 
1 1 1 7  11 3  f 499.1048       4.198372      492.8512       6.074679      504.8234       5.809018  
1 1 1 7  11 4  o 280.1345       2.566614      279.0201       3.724839      281.1419       3.541573  
1 1 1 7  11 5  o 276.4009       2.722031      272.5800       4.083303      279.4570       3.651803  
1 1 1 7  11 6  f 66.26578       0.7764039     67.69778       1.143584      65.04134       1.057468  
1 1 1 7  11 7  o 92.07974       1.030995      94.11391       1.467878      90.09917       1.448413  
1 1 1 7  11 8  o 58.68388       0.7437268     59.39017       1.052871      57.98049       1.050710  
1 1 1 7  11 9  o 38.12338       0.5734545     40.69930       0.8893605     36.29030       0.7502451 
1 1 1 7  11 10 o 29.53617       0.5159705     30.04561       0.7939409     29.16368       0.6788796 
1 1 1 7  11 11 o 2.009448       0.3397148     2.381485       0.5488392     1.778386       0.4325290 
1 1 1 7  11 12 o 38.10144       0.5960392     38.72812       0.9202093     37.64849       0.7823297 
1 1 1 7  11 13 o 107.6093       1.195202      104.5944       1.795464      110.0084       1.601634  
1 1 1 7  11 14 o 43.97302       0.6535422     43.81321       1.010296      44.08802       0.8570033 
1 1 1 7  11 15 o 22.57153       0.5004573     22.53779       0.7779147     22.59535       0.6536906 
1 1 1 7  11 16 o 72.05981       0.9139334     73.38451       1.394247      71.06176       1.210199  
1 1 1 7  11 17 o 43.00669       0.6758394     43.37098       0.9542853     42.64010       0.9572843 
1 1 1 7  11 18 o 23.68188       0.5406225     23.10591       0.7480078     24.31180       0.7822528 
1 1 1 7  11 19 o 26.63913       0.5679253     26.67872       0.7990098     26.59871       0.8073912 
1 1 1 7  11 20 o 16.18538       0.4973566     16.01760       0.6858287     16.37149       0.7223266 
1 1 1 7  11 21 o 45.46512       0.7372282     46.26933       1.007610      44.53864       1.081503  
1 1 1 7  11 22 o 15.06942       0.4970600     14.80285       0.6708695     15.39385       0.7401194 
1 1 1 7  11 23 o 8.737812       0.4544181     8.655887       0.6160445     8.835590       0.6730167 
1 1 1 7  11 24 o 3.776224       0.4300545     3.573949       0.5706593     4.042099       0.6542525 
1 1 1 7  11 25 o 1.583433       0.4155723     1.248441       0.5584011     1.999309       0.6221734 
1 1 1 7  11 26 o -0.1672948     0.4189330     0.3151841      0.5629460     -0.7661310     0.6271646 
1 1 1 7  11 27 o 1.028051       0.4370596     1.596389       0.5863367     0.3174081      0.6556455 
1 1 1 7  11 28 o 3.554449       0.4711526     3.300328       0.6312796     3.874006       0.7079052 
1 1 1 7  11 29 o 1.759256       0.4700965     2.454932       0.6291497     0.8799434      0.7073305 
1 1 1 7  11 30 o 1.105853       0.4796494     1.083616       0.6307948     1.136333       0.7385266 
1 1 1 7  11 31 o 0.1895835      0.5031192     0.4972817      0.6513963     -0.2653972     0.7920987 
1 1 1 7  11 32 f 0.3822233      0.5217673     1.132972       0.6903043     -0.6182939     0.7969034 
1 1 1 7  11 33 o 0.5285565      0.5333804     -0.3310928     0.6830482     1.871879       0.8538488 
1 1 1 7  12 0  o 55.57825       0.9552234     55.57825       0.6754450     ?              ?         
1 1 1 7  12 1  o 104.8546       1.114531      104.2827       1.619856      105.3687       1.535864  
1 1 1 7  12 2  o 425.0934       3.724930      427.6279       5.439509      422.8553       5.111474  
1 1 1 7  12 3  f 20.62023       0.4312229     20.67738       0.6371236     20.57192       0.5857881 
1 1 1 7  12 4  o 37.54303       0.5499278     37.39765       0.8105739     37.66700       0.7485540 
1 1 1 7  12 5  o 327.9270       3.045857      322.4679       4.445297      332.7580       4.181756  
1 1 1 7  12 6  o 12.67644       0.3941408     13.10225       0.5833981     12.31889       0.5345927 
1 1 1 7  12 7  o 24.67876       0.4903886     25.02438       0.6966850     24.33936       0.6903862 
1 1 1 7  12 8  o 40.90846       0.6408538     41.05659       0.9271188     40.77292       0.8868312 
1 1 1 7  12 9  o 94.03880       1.046527      93.44096       1.524882      94.57110       1.438885  
1 1 1 7  12 10 o 92.50590       1.069037      92.81174       1.618644      92.26927       1.423735  
1 1 1 7  12 11 o 29.79703       0.5448478     30.74130       0.8556418     29.15302       0.7066281 
1 1 1 7  12 12 o 34.36452       0.5830195     34.84940       0.9101397     34.02708       0.7592493 
1 1 1 7  12 13 o 1.285723       0.3801058     1.664619       0.6181048     1.055296       0.4820233 
1 1 1 7  12 14 o 33.81654       0.5908162     33.56531       0.9122259     33.99808       0.7754250 
1 1 1 7  12 15 o 38.38937       0.6412280     38.00843       0.9939522     38.66094       0.8392234 
1 1 1 7  12 16 o 0.5882105      0.4090771     0.5694819      0.6813159     0.5987685      0.5115490 
1 1 1 7  12 17 o 6.525640       0.4520387     6.376026       0.7279795     6.619529       0.5766900 
1 1 1 7  12 18 o 27.26811       0.5853332     27.46673       0.8179375     27.05963       0.8379994 
1 1 1 7  12 19 o 2.632097       0.4223983     1.923042       0.5753514     3.461076       0.6221073 
1 1 1 7  12 20 o 16.38382       0.5046412     16.76400       0.7041669     15.98241       0.7235696 
1 1 1 7  12 21 o 3.727035       0.4218750     3.061636       0.5876321     4.434767       0.6060362 
1 1 1 7  12 22 o 1.631417       0.4204127     1.616985       0.5820277     1.647162       0.6079243 
1 1 1 7  12 23 o -0.3265692E-01 0.4182809     -0.6424302     0.5770334     0.6425294      0.6071956 
1 1 1 7  12 24 o 2.431021       0.4112251     2.142563       0.5548388     2.782614       0.6125557 
1 1 1 7  12 25 f 3.329430       0.4388646     3.285292       0.6004395     3.380054       0.6430451 
1 1 1 7  12 26 o 1.865385       0.4369679     2.087722       0.6020828     1.617935       0.6351762 
1 1 1 7  12 27 o 0.4639127      0.4418067     0.6691543      0.5897110     0.2013263      0.6670259 
1 1 1 7  12 28 o -0.2395748     0.4653204     0.2325880      0.6170875     -0.8619141     0.7084587 
1 1 1 7  12 29 o 1.156945       0.4772271     1.056975       0.6405711     1.281642       0.7154168 
1 1 1 7  12 30 o 1.078846       0.4963014     1.849767       0.6514086     0.1215936E-01  0.7662440 
1 1 1 7  12 31 o 0.7212234E-01  0.4946871     -0.6161598     0.6416691     1.080560       0.7766984 
1 1 1 7  12 32 o 0.8078466      0.5332288     0.7525580      0.6942881     0.8873618      0.8326197 
1 1 1 7  13 0  o 251.9963       3.284949      251.9963       2.322810      ?              ?         
1 1 1 7  13 1  o 64.15311       0.7852672     64.95026       1.149999      63.45671       1.074875  
1 1 1 7  13 2  o 16.58947       0.4172642     17.82681       0.6239641     15.58850       0.5612129 
1 1 1 7  13 3  o 174.8624       1.790292      171.1520       2.655770      177.9530       2.423809  
1 1 1 7  13 4  o 189.7202       1.863479      188.5782       2.713923      190.7388       2.563241  
1 1 1 7  13 5  o 15.91668       0.4271026     16.08373       0.6335602     15.77751       0.5782505 
1 1 1 7  13 6  o 23.00576       0.4785723     22.22162       0.6973073     23.70401       0.6580080 
1 1 1 7  13 7  o 74.61027       0.9275569     73.54704       1.308305      75.68482       1.315249  
1 1 1 7  13 8  o 301.7780       2.921929      304.7003       4.140809      298.8797       4.123708  
1 1 1 7  13 9  o 127.6100       1.357747      127.3882       1.978747      127.8073       1.866458  
1 1 1 7  13 10 o 107.2175       1.180607      108.8647       1.734385      105.7952       1.611627  
1 1 1 7  13 11 o 126.2426       1.381819      125.5288       2.084080      126.8026       1.845901  
1 1 1 7  13 12 o 13.84907       0.4609340     14.48483       0.7310508     13.42956       0.5938478 
1 1 1 7  13 13 o 6.374236       0.4259251     6.723629       0.6784987     6.147011       0.5471676 
1 1 1 7  13 14 o 20.88305       0.5253437     20.54905       0.8126479     21.12284       0.6885703 
1 1 1 7  13 15 f 16.26992       0.5021074     16.39347       0.8034452     16.19074       0.6431748 
1 1 1 7  13 16 o 3.450690       0.4391970     3.761497       0.7187405     3.265475       0.5548356 
1 1 1 7  13 17 o 6.624855       0.4593787     6.275616       0.7348387     6.848893       0.5885615 
1 1 1 7  13 18 o 3.120941       0.4382250     2.692769       0.7080569     3.386785       0.5579214 
1 1 1 7  13 19 o 0.1210052      0.4284078     0.2314134      0.6066127     0.1114333E-01  0.6051102 
1 1 1 7  13 20 o -0.3355217     0.4135342     0.3315780      0.5633358     -1.115101      0.6089787 
1 1 1 7  13 21 o 0.9284747      0.4351288     0.3557217      0.5907452     1.607762       0.6433442 
1 1 1 7  13 22 f 0.6967476      0.4165399     0.6592333      0.5882132     0.7344829      0.5899432 
1 1 1 7  13 23 o 0.1151801      0.4111327     -0.1701938     0.5740225     0.4157736      0.5891308 
1 1 1 7  13 24 o 1.481964       0.4143210     1.531774       0.5857900     1.432104       0.5860868 
1 1 1 7  13 25 o -0.6834725E-01 0.4200059     -0.1644631E-01 0.5622620     -0.1338690     0.6317480 
1 1 1 7  13 26 o 0.1155245      0.4360945     -0.6860147     0.5847225     1.120227       0.6546454 
1 1 1 7  13 27 o 0.4504315      0.4520354     0.4228204      0.6143133     0.4830354      0.6675488 
1 1 1 7  13 28 o 0.6959523E-01  0.4625394     0.1796179      0.6349131     -0.5483418E-01 0.6752034 
1 1 1 7  13 29 o 0.2611509      0.4809502     0.5678146      0.6582645     -0.9001588E-01 0.7044106 
1 1 1 7  13 30 o 0.3561789      0.4934938     0.4849608      0.6744456     0.2077785      0.7239974 
1 1 1 7  13 32 o 1.462893       0.5452609     1.397716       0.7224088     1.549182       0.8312206 
1 1 1 7  14 0  f -0.3064397     0.5631421     -0.3064397     0.3982016     ?              ?         
1 1 1 7  14 1  o 46.86143       0.6569431     46.68491       0.9652005     47.01378       0.8966933 
1 1 1 7  14 2  f 20.40264       0.4730961     20.20377       0.6902657     20.57883       0.6496937 
1 1 1 7  14 3  o 85.50352       0.9893753     85.53876       1.446144      85.47252       1.356528  
1 1 1 7  14 4  o 114.4271       1.236585      116.2457       1.806573      112.8238       1.696229  
1 1 1 7  14 5  f 27.82658       0.5304314     28.41474       0.7799047     27.32034       0.7235482 
1 1 1 7  14 6  o 6.628568       0.4090429     5.975202       0.5942429     7.216909       0.5638974 
1 1 1 7  14 7  f 59.30697       0.8087189     59.10982       1.146488      59.50222       1.140934  
1 1 1 7  14 8  o 83.88446       1.018063      82.06355       1.430305      85.75432       1.449403  
1 1 1 7  14 9  o 50.59393       0.7192413     50.60649       1.053266      50.58296       0.9845311 
1 1 1 7  14 10 o 77.48032       0.9414672     76.82778       1.374275      78.05738       1.292368  
1 1 1 7  14 11 o 45.82940       0.6896238     46.58933       1.029247      45.21029       0.9289910 
1 1 1 7  14 12 o 12.63914       0.4824275     13.06681       0.7736299     12.36701       0.6171107 
1 1 1 7  14 13 o 33.85111       0.6327395     35.74633       1.001825      32.59340       0.8161168 
1 1 1 7  14 14 o 14.57895       0.5039220     14.71864       0.8013948     14.48760       0.6480794 
1 1 1 7  14 15 o 15.60611       0.5153558     14.79811       0.8043174     16.16887       0.6712455 
1 1 1 7  14 16 o 6.926626       0.4716331     7.060382       0.7448788     6.837120       0.6093335 
1 1 1 7  14 17 o 1.012206       0.4488122     1.032947       0.7121547     0.9985408      0.5780543 
1 1 1 7  14 18 o 2.362643       0.4482780     1.807585       0.7298580     2.698873       0.5680509 
1 1 1 7  14 19 o 1.857788       0.4640813     1.107972       0.6948755     2.461529       0.6235267 
1 1 1 7  14 20 o 4.304901       0.4263205     5.443827       0.5930812     3.087233       0.6132404 
1 1 1 7  14 21 f 2.411716       0.4187649     2.549000       0.5781720     2.260226       0.6073509 
1 1 1 7  14 22 f 0.7057303      0.4077272     0.4105239      0.5715170     1.011706       0.5818485 
1 1 1 7  14 23 o 1.040897       0.4228468     1.041386       0.6043735     1.040429       0.5918155 
1 1 1 7  14 24 o 0.7102248      0.4228745     0.3089364      0.5859079     1.146545       0.6109475 
1 1 1 7  14 25 o 1.457810       0.4571079     1.571352       0.6304629     1.331975       0.6637146 
1 1 1 7  14 26 o 1.017572       0.4387644     1.269500       0.6017720     0.7316320      0.6411074 
1 1 1 7  14 27 o 1.758494       0.4627596     1.788020       0.6313328     1.724211       0.6802876 
1 1 1 7  14 28 o 0.7889670      0.4806966     1.602158       0.6642274     -0.1052626     0.6965383 
1 1 1 7  14 29 o 0.1848912      0.4921646     0.2539617      0.6662985     0.1019542      0.7301236 
1 1 1 7  14 30 o 1.416110       0.5275914     1.454969       0.7178933     1.370474       0.7779772 
1 1 1 7  14 31 f 0.2681864      0.5168259     -0.2579645     0.7221967     0.8204938      0.7399302 
1 1 1 7  15 0  o 33.47837       0.8638626     33.47837       0.6108431     ?              ?         
1 1 1 7  15 1  o 20.13050       0.5152648     20.04656       0.7228786     20.21721       0.7346531 
1 1 1 7  15 2  o 161.0895       1.650183      163.3660       2.415279      159.0966       2.259887  
1 1 1 7  15 3  o 27.73854       0.5537912     27.97091       0.8147594     27.53901       0.7550073 
1 1 1 7  15 4  f 49.64713       0.7112563     50.66496       1.045142      48.76910       0.9707136 
1 1 1 7  15 5  o 23.33283       0.5291167     22.23003       0.7748279     24.29647       0.7242937 
1 1 1 7  15 6  o 13.31640       0.4706047     14.34464       0.6900845     12.42249       0.6434329 
1 1 1 7  15 7  o 24.72643       0.5664434     24.58011       0.7994478     24.87395       0.8027059 
1 1 1 7  15 8  o 24.77311       0.5695059     23.42194       0.7949466     26.19778       0.8162833 
1 1 1 7  15 9  o 36.58294       0.6262729     36.43157       0.9122413     36.71789       0.8613179 
1 1 1 7  15 10 o 40.94387       0.6736524     39.48205       0.9803271     42.25172       0.9272628 
1 1 1 7  15 11 o 38.15268       0.6584853     38.17361       0.9743314     38.13507       0.8934007 
1 1 1 7  15 12 o -0.3881735     0.4349375     -0.9278397     0.6816935     -0.1766199E-01 0.5648425 
1 1 1 7  15 13 o 3.906721       0.4841740     2.627514       0.7684660     4.748800       0.6234916 
1 1 1 7  15 14 o 2.026910       0.4587742     1.623886       0.7351441     2.283987       0.5871361 
1 1 1 7  15 15 o 1.743036       0.4712419     1.494459       0.7509440     1.904515       0.6052501 
1 1 1 7  15 16 o -0.3367311     0.4478606     -0.5517108     0.7043111     -0.1907951     0.5802926 
1 1 1 7  15 17 o 2.904502       0.4500552     3.332235       0.7380427     2.651294       0.5678509 
1 1 1 7  15 18 o 4.269232       0.4516663     4.730423       0.7179436     3.967139       0.5810593 
1 1 1 7  15 19 o 13.95113       0.5000131     13.16865       0.7897022     14.47474       0.6459990 
1 1 1 7  15 20 o 9.553324       0.5042115     10.24096       0.7695047     9.035975       0.6674592 
1 1 1 7  15 21 o 6.742557       0.4545646     6.136023       0.6315895     7.394366       0.6547381 
1 1 1 7  15 22 o 3.352533       0.4308468     3.832781       0.6070181     2.864964       0.6116269 
1 1 1 7  15 23 o 2.907953       0.4440157     2.749852       0.6311588     3.062862       0.6247562 
1 1 1 7  15 24 o 1.767630       0.4335041     1.520529       0.6010776     2.035478       0.6258045 
1 1 1 7  15 25 o 0.9921003      0.4498357     1.247833       0.6188419     0.7055870      0.6550268 
1 1 1 7  15 26 o 0.9721346      0.4527439     0.7036538      0.6286528     1.261433       0.6525700 
1 1 1 7  15 27 o 1.287621       0.4844087     2.121808       0.6691643     0.3691943      0.7021394 
1 1 1 7  15 28 o 2.251627       0.4901954     2.110124       0.6704355     2.414167       0.7185442 
1 1 1 7  15 29 o 0.2836959      0.5092146     0.8000068E-01  0.7012417     0.5109288      0.7406496 
1 1 1 7  15 30 o 0.6348141      0.5299925     0.4386463      0.7281455     0.8558375      0.7729002 
1 1 1 7  15 31 o 0.6201699      0.5627701     -0.1520371     0.7657010     1.527354       0.8299274 
1 1 1 7  16 0  f 3.227651       0.6634851     3.227651       0.4691548     ?              ?         
1 1 1 7  16 1  o 15.58712       0.6061044     15.03197       0.9816667     15.92912       0.7705068 
1 1 1 7  16 2  o 6.179078       0.4465769     6.716435       0.6743526     5.759347       0.5959921 
1 1 1 7  16 3  o 8.989752       0.4555217     8.746486       0.6747255     9.193493       0.6174836 
1 1 1 7  16 4  o 8.239660       0.4580798     8.049088       0.6652980     8.411447       0.6316558 
1 1 1 7  16 5  o 13.80452       0.4976571     13.57386       0.7264963     14.00844       0.6830941 
1 1 1 7  16 6  o 80.34569       0.9822752     78.93992       1.425182      81.61776       1.355714  
1 1 1 7  16 7  o 90.03781       1.102236      89.04497       1.545940      91.06438       1.571980  
1 1 1 7  16 8  o 105.9986       1.247108      104.5858       1.753721      107.4440       1.773806  
1 1 1 7  16 9  o 44.56218       0.7143012     43.30185       1.046422      45.66184       0.9774503 
1 1 1 7  16 10 o 11.77443       0.5066907     12.02270       0.7503176     11.56629       0.6869995 
1 1 1 7  16 11 o 13.44051       0.5221466     12.90433       0.7789967     13.87793       0.7035996 
1 1 1 7  16 12 o 7.957690       0.5001255     6.546644       0.7302070     9.204485       0.6863931 
1 1 1 7  16 13 f 21.60858       0.5658492     21.69489       0.8385094     21.53642       0.7667587 
1 1 1 7  16 14 o 37.17663       0.6854127     34.93538       1.030240      38.95640       0.9180687 
1 1 1 7  16 15 o 26.04060       0.6024214     25.62854       0.9318257     26.33650       0.7896284 
1 1 1 7  16 16 o 14.09506       0.5240253     14.53146       0.8211346     13.79522       0.6806465 
1 1 1 7  16 17 o 13.47127       0.5105777     12.57360       0.7921563     14.10922       0.6677977 
1 1 1 7  16 18 o 14.63360       0.5208552     12.95148       0.8033786     15.85335       0.6841127 
1 1 1 7  16 19 o 10.97515       0.4941130     9.990173       0.7720247     11.65858       0.6430780 
1 1 1 7  16 20 o 6.826089       0.4553311     6.806252       0.7392761     6.838214       0.5779687 
1 1 1 7  16 21 o 8.423035       0.4986962     8.860826       0.7562477     8.086174       0.6633701 
1 1 1 7  16 22 o 8.126508       0.4689889     8.062436       0.6531907     8.194685       0.6737897 
1 1 1 7  16 23 f 6.417529       0.4618562     6.825189       0.6443338     5.986733       0.6623660 
1 1 1 7  16 24 o 4.173463       0.5482413     4.246542       0.9043142     4.130995       0.6893745 
1 1 1 7  16 25 f 1.351965       0.4602086     1.417815       0.6429811     1.282798       0.6589803 
1 1 1 7  16 26 o 1.052808       0.4731949     0.6728098      0.6594770     1.456070       0.6793631 
1 1 1 7  16 27 o 1.058089       0.5696883     1.204766       0.9342832     0.9712763      0.7187714 
1 1 1 7  16 28 o 0.6150563      0.4968537     0.6993531      0.6812992     0.5192932      0.7261587 
1 1 1 7  16 29 o 0.7652014      0.5086298     1.139908       0.6910015     0.3221135      0.7514121 
1 1 1 7  16 30 o 0.8112247      0.5397713     0.6032599      0.7393374     1.048589       0.7898693 
1 1 1 7  17 0  o 8.079019       0.7227322     8.079019       0.5110489     ?              ?         
1 1 1 7  17 1  o 16.15212       0.5394307     16.07921       0.7710665     16.22201       0.7549298 
1 1 1 7  17 2  o 5.785876       0.5006850     6.257003       0.7087965     5.316660       0.7073567 
1 1 1 7  17 3  o 6.691474       0.4681853     6.200939       0.6801742     7.133162       0.6454200 
1 1 1 7  17 4  o 1.613604       0.4608764     2.307808       0.6921200     1.060561       0.6177561 
1 1 1 7  17 5  o 5.289783       0.4869965     5.947680       0.7175019     4.727802       0.6631399 
1 1 1 7  17 6  o 2.638395       0.4709424     2.077233       0.6910200     3.125089       0.6435385 
1 1 1 7  17 7  o 5.834417       0.5010883     6.159934       0.6743819     5.433173       0.7487264 
1 1 1 7  17 8  o 4.137393       0.5094372     4.063131       0.7045848     4.218742       0.7374440 
1 1 1 7  17 9  f 11.99892       0.5245446     12.02619       0.7580366     11.97388       0.7265980 
1 1 1 7  17 10 o 13.22391       0.5214025     13.25924       0.7538331     13.19152       0.7219489 
1 1 1 7  17 11 o 7.888659       0.5101491     7.960318       0.7395071     7.823591       0.7046723 
1 1 1 7  17 12 f 1.488450       0.4783743     1.356418       0.6920117     1.609290       0.6620307 
1 1 1 7  17 13 o 27.07578       0.6022115     26.85573       0.8752906     27.27356       0.8298374 
1 1 1 7  17 14 f 9.026200       0.4937296     9.343543       0.7114689     8.731412       0.6857207 
1 1 1 7  17 15 o 2.452638       0.4832774     2.789610       0.7587184     2.222579       0.6269065 
1 1 1 7  17 16 o 0.9826014      0.4665145     1.059865       0.7274403     0.9286256      0.6080090 
1 1 1 7  17 17 o 5.219616       0.4592847     5.288692       0.7422548     5.176761       0.5846496 
1 1 1 7  17 18 o 1.766617       0.4719594     1.688514       0.7676182     1.814085       0.5984359 
1 1 1 7  17 19 o 4.435237       0.4570245     4.309605       0.7459789     4.510726       0.5782531 
1 1 1 7  17 20 o -0.6054799E-01 0.4470665     0.3628372E-02  0.7297494     -0.9910571E-01 0.5656423 
1 1 1 7  17 21 o 7.352224       0.4748380     8.000426       0.7819996     6.973647       0.5976252 
1 1 1 7  17 22 o 1.982284       0.4778668     2.423252       0.7385307     1.664696       0.6267542 
1 1 1 7  17 23 o 1.391198       0.5135124     1.217199       0.7869187     1.520246       0.6776929 
1 1 1 7  17 24 o 0.3930065      0.4599313     0.9705627E-01  0.6432395     0.7025917      0.6578903 
1 1 1 7  17 25 o 1.506803       0.4833470     1.518802       0.6881727     1.495120       0.6790308 
1 1 1 7  17 26 o 0.4440864      0.4851867     0.7753204      0.6870678     0.1146020      0.6852510 
1 1 1 7  17 27 o 0.1164628      0.4972902     0.2149548      0.6985631     0.1526817E-01  0.7080825 
1 1 1 7  17 28 o 1.043859       0.5182990     0.3057990      0.7331013     1.781453       0.7328697 
1 1 1 7  17 29 o -0.1691228     0.5375072     0.5349553      0.7564139     -0.8872853     0.7639421 
1 1 1 7  18 0  o 33.43891       0.9605801     33.43891       0.6792327     ?              ?         
1 1 1 7  18 1  o 57.13742       0.8476242     56.13827       1.190964      58.16304       1.206633  
1 1 1 7  18 2  o 131.4823       1.485625      132.2453       2.101962      130.7207       2.100022  
1 1 1 7  18 3  o 76.09081       1.007038      74.55112       1.407204      77.70704       1.441758  
1 1 1 7  18 4  o 15.44593       0.5458861     16.47498       0.8005271     14.55152       0.7463194 
1 1 1 7  18 5  o 9.894258       0.5118158     9.941831       0.7263241     9.847336       0.7213356 
1 1 1 7  18 6  o 22.16995       0.5862347     21.37725       0.8316420     22.95289       0.8265040 
1 1 1 7  18 7  o 9.871379       0.5361010     9.909934       0.7098786     9.820203       0.8178590 
1 1 1 7  18 8  f 4.228642       0.5363424     4.289065       0.7268464     4.156413       0.7946915 
1 1 1 7  18 9  o 1.348906       0.4997264     0.9812341      0.7128286     1.704239       0.7007655 
1 1 1 7  18 10 o 2.904884       0.4975527     2.821357       0.7357442     2.975275       0.6754123 
1 1 1 7  18 11 o 15.24488       0.5449287     14.33980       0.7978975     16.03607       0.7460079 
1 1 1 7  18 12 o 18.87977       0.5707800     18.48945       0.8265381     19.23559       0.7891676 
1 1 1 7  18 13 o 2.966616       0.4827375     2.955277       0.7144340     2.976142       0.6548401 
1 1 1 7  18 14 o 3.902714       0.4761077     3.147137       0.6996915     4.554216       0.6497183 
1 1 1 7  18 15 o 10.62877       0.5193683     10.02981       0.7937652     11.07717       0.6867892 
1 1 1 7  18 16 o 19.73568       0.5682018     19.18230       0.8914146     20.11439       0.7374265 
1 1 1 7  18 17 o 11.12441       0.5204778     10.69385       0.8166735     11.41890       0.6754154 
1 1 1 7  18 18 o 0.3682294      0.4606146     0.2298658      0.7360332     0.4573006      0.5905480 
1 1 1 7  18 19 o 1.632565       0.4618508     2.175994       0.7569504     1.310277       0.5829325 
1 1 1 7  18 20 o 3.785941       0.4778331     3.568237       0.7650759     3.925170       0.6118380 
1 1 1 7  18 21 o 3.312644       0.4786597     3.347788       0.7627817     3.289816       0.6147684 
1 1 1 7  18 22 f 3.430124       0.5036754     3.683378       0.7731898     3.243429       0.6638552 
1 1 1 7  18 23 o 0.6316342      0.5074505     0.1609545      0.7677968     0.9966967      0.6761874 
1 1 1 7  18 24 o -0.6548006E-01 0.5116230     0.4966437      0.7761352     -0.4974484     0.6803735 
1 1 1 7  18 25 o -0.3139421     0.4834892     -0.7202863     0.6740282     0.1167394      0.6939196 
1 1 1 7  18 26 o 1.143094       0.5057619     1.314710       0.7060860     0.9622650      0.7247916 
1 1 1 7  18 27 o 0.5677220      0.5288841     0.4899605      0.7583715     0.6413532      0.7379562 
1 1 1 7  18 28 o 0.2384443      0.5119846     0.5500476      0.7180183     -0.8386404E-01 0.7302479 
1 1 1 7  19 0  o 70.46078       1.372502      70.46078       0.9705056     ?              ?         
1 1 1 7  19 1  f 37.03637       0.7997213     38.09452       1.014067      35.29567       1.300632  
1 1 1 7  19 2  o 9.930828       0.5528385     9.456511       0.7570070     10.47290       0.8092707 
1 1 1 7  19 3  o 4.081933       0.5514821     3.495352       0.7432855     4.800292       0.8225513 
1 1 1 7  19 4  o 3.271915       0.5067821     3.712234       0.6908156     2.758814       0.7457262 
1 1 1 7  19 5  f 2.412854       0.5103436     2.742070       0.7323894     2.102121       0.7115322 
1 1 1 7  19 6  o 3.631074       0.4955425     3.012069       0.6911788     4.285798       0.7108406 
1 1 1 7  19 7  o 1.519964       0.4989201     1.205588       0.7105082     1.825765       0.7007520 
1 1 1 7  19 8  o 18.05775       0.5876192     17.66946       0.8013383     18.50941       0.8642628 
1 1 1 7  19 9  o 7.957754       0.5251981     7.494866       0.7581369     8.384865       0.7282488 
1 1 1 7  19 10 o 17.74990       0.5744381     17.02776       0.8311181     18.41039       0.7948511 
1 1 1 7  19 11 f 30.71952       0.6429186     30.21412       0.9312034     31.17986       0.8887313 
1 1 1 7  19 12 o 28.91506       0.6354344     29.39835       0.9350586     28.50036       0.8661701 
1 1 1 7  19 13 o 2.771859       0.4699344     3.294921       0.6837941     2.303698       0.6469136 
1 1 1 7  19 14 o 1.186730       0.4664290     1.923063       0.7005956     0.6005374      0.6251013 
1 1 1 7  19 15 o 8.372225       0.4994459     9.379834       0.7422559     7.538571       0.6751500 
1 1 1 7  19 16 o 0.4446222      0.4771124     -0.1812321     0.7594836     0.8526281      0.6132182 
1 1 1 7  19 17 o 1.369253       0.4471063     1.684194       0.7328887     1.182557       0.5642752 
1 1 1 7  19 18 o 2.041510       0.4702738     1.788149       0.7547155     2.202322       0.6012723 
1 1 1 7  19 19 o -0.2800767     0.4736178     -0.6815738     0.7721687     -0.3793113E-01 0.5996657 
1 1 1 7  19 20 o 2.544563       0.4892254     3.559380       0.7929848     1.920948       0.6216263 
1 1 1 7  19 21 o -0.3052700     0.4912432     0.6920527E-01  0.7875314     -0.5437806     0.6285071 
1 1 1 7  19 22 o 0.4147864      0.4945717     0.5114115      0.8040866     0.3559870      0.6272547 
1 1 1 7  19 23 o 0.3854607      0.5380926     0.4616301      0.8438177     0.3332591      0.6985544 
1 1 1 7  19 24 o 1.452805       0.5415595     0.9483773      0.8536260     1.792597       0.7006068 
1 1 1 7  19 25 f 1.133106       0.5436420     1.372332       0.8312150     0.9542797      0.7186602 
1 1 1 7  19 26 o 0.4034508      0.5629610     0.4294092      0.8592470     0.3839272      0.7451767 
1 1 1 7  19 27 o 1.469528       0.5292497     1.809716       0.7401055     1.113511       0.7571290 
1 1 1 7  20 0  o 8.128078       0.7683377     8.128078       0.5432968     ?              ?         
1 1 1 7  20 1  o 21.08878       0.6095127     20.74461       0.8421649     21.46737       0.8832655 
1 1 1 7  20 2  o 11.33385       0.5598693     11.04324       0.7809103     11.64121       0.8031059 
1 1 1 7  20 3  o 11.83129       0.5757185     12.02617       0.7866105     11.60646       0.8448876 
1 1 1 7  20 4  o 11.84537       0.5453703     12.85126       0.7452039     10.68531       0.8002782 
1 1 1 7  20 5  o 9.160225       0.5577685     9.220549       0.7697430     9.093533       0.8093545 
1 1 1 7  20 6  o 9.708895       0.5382627     10.17431       0.7773213     9.280139       0.7460763 
1 1 1 7  20 7  o 17.23702       0.5606337     17.49367       0.7998323     16.98913       0.7860588 
1 1 1 7  20 8  o 17.77450       0.6080663     17.57152       0.8291268     18.01073       0.8944555 
1 1 1 7  20 9  o 4.381356       0.5234098     4.599542       0.7620776     4.186530       0.7201288 
1 1 1 7  20 10 o 2.027933       0.4910848     1.525885       0.7000193     2.514450       0.6891070 
1 1 1 7  20 11 o 1.327177       0.5027771     1.163391       0.7353404     1.470967       0.6889892 
1 1 1 7  20 12 o 8.610842       0.5109250     8.145536       0.7589812     8.996436       0.6909192 
1 1 1 7  20 13 o 5.925961       0.4887431     5.167973       0.7159017     6.587621       0.6688672 
1 1 1 7  20 14 o 1.264466       0.4717756     1.000902       0.7043408     1.478933       0.6353613 
1 1 1 7  20 15 o 2.393309       0.4748614     1.974633       0.7216886     2.712970       0.6306013 
1 1 1 7  20 16 o 1.631025       0.4695955     0.1474276      0.6993536     2.849166       0.6337056 
1 1 1 7  20 17 f 1.871972       0.4818116     0.8326362      0.7652143     2.554674       0.6201840 
1 1 1 7  20 18 o 0.3502711E-03  0.4672999     0.5900042      0.7591186     -0.3594296     0.5929656 
1 1 1 7  20 19 f 1.043351       0.4835472     1.521937       0.7712000     0.7333144      0.6207168 
1 1 1 7  20 20 o 2.465120       0.5059866     2.169817       0.8100235     2.654075       0.6479535 
1 1 1 7  20 21 o 1.301850       0.5133728     1.202964       0.8328043     1.362457       0.6519824 
1 1 1 7  20 22 o 0.9759288      0.5360370     1.816445       0.8535603     0.4285715      0.6888056 
1 1 1 7  20 23 o 1.282774       0.5210693     1.134113       0.8372450     1.376760       0.6657078 
1 1 1 7  20 24 o 1.389709       0.5667711     1.701957       0.8745934     1.163640       0.7441782 
1 1 1 7  20 25 o 0.1024372      0.5705000     1.303757       0.8915774     -0.7304570     0.7423773 
1 1 1 7  20 26 o -0.8750507     0.5751152     -0.4587659     0.8875093     -1.176396      0.7551095 
1 1 1 7  21 0  o 33.92052       0.9741350     33.92052       0.6888175     ?              ?         
1 1 1 7  21 1  o 12.11747       0.5454084     12.43235       0.7674974     11.79622       0.7752082 
1 1 1 7  21 2  o 3.510688       0.5308357     3.993442       0.7433791     3.008396       0.7582725 
1 1 1 7  21 3  o -0.2960633     0.5088601     0.1423984      0.7012023     -0.7838682     0.7396063 
1 1 1 7  21 4  o 7.072757       0.5292709     6.213859       0.7177971     8.096134       0.7835177 
1 1 1 7  21 5  f 8.441087       0.5565258     9.021404       0.7693173     7.804014       0.8060606 
1 1 1 7  21 6  o 27.05124       0.6570581     27.00862       0.8984080     27.10026       0.9634374 
1 1 1 7  21 7  o 11.15394       0.5483214     10.86043       0.7823436     11.43731       0.7687230 
1 1 1 7  21 8  o 7.778454       0.5433807     7.438174       0.7239551     8.217486       0.8223221 
1 1 1 7  21 9  o 1.116140       0.4927242     0.8261895      0.7169154     1.375712       0.6783197 
1 1 1 7  21 10 o 4.239454       0.5069048     3.352337       0.7412213     5.018876       0.6947740 
1 1 1 7  21 11 o 5.326956       0.5182626     5.386755       0.7546288     5.273571       0.7130088 
1 1 1 7  21 12 o 4.365843       0.4945926     4.624087       0.7078735     4.119522       0.6913387 
1 1 1 7  21 13 f 11.19923       0.5221806     11.01723       0.7681491     11.35560       0.7119938 
1 1 1 7  21 14 f 9.015593       0.5226157     8.983828       0.7858282     9.040784       0.6998087 
1 1 1 7  21 15 o 1.831713       0.4837061     1.509298       0.7182640     2.099281       0.6543255 
1 1 1 7  21 16 o 1.020654       0.4781614     0.3039264      0.7235071     1.576481       0.6371412 
1 1 1 7  21 17 o 1.059019       0.4737512     0.8663446      0.7318581     1.197988       0.6215472 
1 1 1 7  21 18 f 2.059846       0.4985360     1.460172       0.7894161     2.457674       0.6429772 
1 1 1 7  21 19 o 1.441354       0.5070538     1.721404       0.8271970     1.272791       0.6417592 
1 1 1 7  21 20 o 0.7567773      0.5089741     -0.1706895     0.8095683     1.362976       0.6545034 
1 1 1 7  21 21 f 0.4217553      0.5257031     0.9415448      0.8464388     0.9534618E-01  0.6707536 
1 1 1 7  21 22 f 1.224397       0.5323076     1.517571       0.8568183     1.040116       0.6793069 
1 1 1 7  21 23 o -0.2992766     0.5340235     0.5552511      0.8661894     -0.8232361     0.6782638 
1 1 1 7  21 24 o -0.2653027     0.5730101     -0.4687178     0.8765966     -0.1135365     0.7571740 
1 1 1 7  21 25 o -0.1316470     0.5790230     0.9382414      0.9004877     -0.8858334     0.7560455 
1 1 1 7  22 0  o 3.736928       0.7198916     3.736928       0.5090402     ?              ?         
1 1 1 7  22 1  o 18.22982       0.5824105     17.36549       0.8127595     19.14210       0.8349962 
1 1 1 7  22 2  o 35.00922       0.6995499     33.88465       0.9791303     36.18182       0.9998200 
1 1 1 7  22 3  o 21.57794       0.6164667     21.46096       0.8609728     21.70101       0.8830786 
1 1 1 7  22 4  o 9.344996       0.5773572     9.285104       0.8135297     9.405772       0.8195159 
1 1 1 7  22 5  o 3.316906       0.5453386     3.975594       0.7536567     2.593008       0.7900827 
1 1 1 7  22 6  o 9.393802       0.5711034     8.971271       0.7806942     9.880216       0.8376330 
1 1 1 7  22 7  o 7.045750       0.5401730     6.878495       0.7537511     7.222344       0.7745119 
1 1 1 7  22 8  o 19.16879       0.6271191     19.95476       0.8596221     18.27457       0.9169077 
1 1 1 7  22 9  o 26.25954       0.6330960     26.11115       0.9034819     26.40270       0.8874007 
1 1 1 7  22 10 o 16.91008       0.5750498     16.48335       0.8390122     17.28813       0.7897115 
1 1 1 7  22 11 o 7.727402       0.5167186     8.332441       0.7727738     7.238143       0.6949129 
1 1 1 7  22 12 o 5.784360       0.5149601     4.921447       0.7614747     6.511592       0.6990504 
1 1 1 7  22 13 o 3.842003       0.4992164     4.594010       0.7546811     3.256935       0.6656651 
1 1 1 7  22 14 o 2.286284       0.4899077     1.592161       0.7471426     2.809821       0.6488721 
1 1 1 7  22 15 o 5.358976       0.5090809     6.260933       0.7734221     4.669473       0.6762257 
1 1 1 7  22 16 o 2.567458       0.4902384     2.325898       0.7579238     2.741216       0.6428136 
1 1 1 7  22 17 o 0.4172162      0.4863864     0.4928319      0.7517495     0.3627701      0.6378965 
1 1 1 7  22 18 o 1.495608       0.5050123     0.5329745      0.8324655     2.056177       0.6352584 
1 1 1 7  22 19 o 0.5385119      0.5162956     0.7339488      0.8546135     0.4261885      0.6478902 
1 1 1 7  22 20 f -0.8469310     0.5321579     -1.064397      0.8639622     -0.7139871     0.6755117 
1 1 1 7  22 21 o -0.6901770     0.5376974     0.1698872      0.8637559     -1.234344      0.6870555 
1 1 1 7  22 22 o 1.143322       0.5589234     1.125252       0.8869805     1.155223       0.7198167 
1 1 1 7  22 23 o 0.4720049      0.5588771     0.4146578      0.8793405     0.5108683      0.7238889 
1 1 1 7  22 24 o -0.3320650     0.5617321     0.8009548      0.9125041     -1.023424      0.7128005 
1 1 1 7  23 0  f 12.11646       0.7960876     12.11646       0.5629189     ?              ?         
1 1 1 7  23 1  o 7.264000       0.5397498     6.651738       0.7637939     7.874751       0.7628499 
1 1 1 7  23 2  o -0.6337167     0.5181453     -0.6110888E-01 0.7341173     -1.202134      0.7314262 
1 1 1 7  23 3  o 5.390466       0.5513347     5.393034       0.7709760     5.387780       0.7887375 
1 1 1 7  23 4  o 4.591867       0.5629905     3.735514       0.7796422     5.524983       0.8138357 
1 1 1 7  23 5  o 3.093057       0.5476490     3.028310       0.7613403     3.162480       0.7883512 
1 1 1 7  23 6  o 4.188676       0.5497829     4.134599       0.7582881     4.248608       0.7982727 
1 1 1 7  23 7  o 8.534426       0.5711148     8.281105       0.7891076     8.813080       0.8276251 
1 1 1 7  23 8  o 6.894489       0.5352286     6.750621       0.7890632     7.017094       0.7284233 
1 1 1 7  23 9  o 2.995940       0.5073664     3.272137       0.7553275     2.768859       0.6848826 
1 1 1 7  23 10 f 1.340188       0.5012984     1.706528       0.7140765     0.9841969      0.7039185 
1 1 1 7  23 11 o 0.5186529      0.4886649     0.5751601      0.7261209     0.4718748      0.6606610 
1 1 1 7  23 12 o 1.782415       0.4988387     1.912651       0.7350184     1.671204       0.6792108 
1 1 1 7  23 13 o 4.474356       0.5178454     3.469533       0.7781529     5.273083       0.6937763 
1 1 1 7  23 14 o 2.943291       0.5032544     2.919568       0.7419987     2.963500       0.6848499 
1 1 1 7  23 15 o -0.3193324E-01 0.4889740     0.5165366      0.7520823     -0.4335375     0.6435586 
1 1 1 7  23 16 o -0.3193657E-02 0.5120568     0.6588066E-01  0.7656074     -0.5910132E-01 0.6887847 
1 1 1 7  23 17 o 0.5897515      0.4929977     0.5167916      0.7667910     0.6411622      0.6436676 
1 1 1 7  23 18 o 1.514821       0.5260652     1.827406       0.7860968     1.261288       0.7079601 
1 1 1 7  23 19 o 1.251905       0.5557013     2.903783       0.8908747     0.1998219      0.7109721 
1 1 1 7  23 20 o 0.4395220      0.5431563     0.8272711E-01  0.9088567     0.6377534      0.6774423 
1 1 1 7  23 21 f 1.854377       0.5766412     2.090440       0.9308521     1.707375       0.7345607 
1 1 1 7  23 22 o 0.5391688      0.5635368     1.370413       0.9362715     0.6695596E-01  0.7056776 
1 1 1 7  24 0  f 3.221712       0.7413197     3.221712       0.5241922     ?              ?         
1 1 1 7  24 1  o 5.177032       0.5453551     4.294191       0.7681688     6.074173       0.7743658 
1 1 1 7  24 2  o 7.497049       0.5712629     7.976593       0.8060220     7.013041       0.8097665 
1 1 1 7  24 3  o 13.41073       0.6103321     13.30541       0.8481647     13.52384       0.8789372 
1 1 1 7  24 4  f 11.40857       0.6003393     11.75111       0.8396692     11.05036       0.8586653 
1 1 1 7  24 5  f 5.313643       0.5517979     5.107128       0.7354970     5.579550       0.8345810 
1 1 1 7  24 6  o 5.829143       0.5563938     5.319159       0.7419513     6.484461       0.8410529 
1 1 1 7  24 7  o 11.75515       0.5879940     12.65231       0.7990501     10.69557       0.8683661 
1 1 1 7  24 8  o 13.42834       0.5768436     14.68483       0.8417718     12.31589       0.7920562 
1 1 1 7  24 9  o 3.086077       0.5331337     2.754523       0.7412948     3.441308       0.7673076 
1 1 1 7  24 10 o 1.134549       0.5197797     1.057369       0.7748984     1.197680       0.7008289 
1 1 1 7  24 11 o -0.8213556E-01 0.5162434     0.5348195      0.8008000     -0.5208619     0.6752961 
1 1 1 7  24 12 f 0.8093522E-01  0.5353630     0.3338494      0.8040406     -0.1204960     0.7175543 
1 1 1 7  24 13 o 0.5247558      0.5098983     -0.1678201     0.8008454     0.9969304      0.6612509 
1 1 1 7  24 14 o 0.9437220      0.5300817     1.144148       0.8139411     0.7961072      0.6985232 
1 1 1 7  24 15 f 1.128254       0.5387828     1.408398       0.8176365     0.9132549      0.7162899 
1 1 1 7  24 16 o 0.8044424      0.5553182     0.4151567      0.8406486     1.105833       0.7396818 
1 1 1 7  24 17 f 1.147856       0.5421621     1.544501       0.8367666     0.8608567      0.7117754 
1 1 1 7  24 18 o 2.511607       0.5714286     2.440941       0.8619979     2.567008       0.7632303 
1 1 1 7  24 19 o 0.4728237      0.5588864     -0.7627332E-01 0.9319679     0.7811832      0.6984013 
1 1 1 7  24 20 o 1.189507       0.5763668     1.200622       0.9144398     1.182180       0.7424004 
1 1 1 7  24 21 o 0.4477881      0.5825831     1.050445       0.9590414     0.9534350E-01  0.7334113 
1 1 1 7  25 0  o 10.65357       0.8310834     10.65357       0.5876647     ?              ?         
1 1 1 7  25 1  o 10.44271       0.5820411     9.856426       0.8209883     11.03516       0.8252896 
1 1 1 7  25 2  o 13.52386       0.6184989     12.86087       0.8614717     14.22915       0.8885350 
1 1 1 7  25 3  o 9.642729       0.5949847     8.513342       0.8131398     10.94424       0.8729064 
1 1 1 7  25 4  o 4.234105       0.5937710     4.617790       0.8235001     3.818630       0.8569357 
1 1 1 7  25 5  o 0.6738460E-01  0.5891311     0.8144996E-01  0.8131457     0.5184412E-01  0.8547227 
1 1 1 7  25 6  f 4.527644       0.5912502     4.045296       0.8204310     5.048825       0.8528171 
1 1 1 7  25 7  o 2.787399       0.5903363     2.615846       0.8176160     2.974229       0.8532466 
1 1 1 7  25 8  o 0.9414320      0.5334928     -0.1546076     0.8035840     1.805239       0.7133891 
1 1 1 7  25 9  o 1.515551       0.5346978     1.806257       0.7557244     1.224148       0.7566302 
1 1 1 7  25 10 o 0.7925779      0.5614072     0.4271797      0.7805073     1.184279       0.8081114 
1 1 1 7  25 11 o 1.558066       0.5602447     2.890455       0.8489370     0.5300865      0.7456794 
1 1 1 7  25 12 o 0.6310470      0.5619692     0.4511181      0.8411376     0.7761142      0.7552680 
1 1 1 7  25 13 o 1.353723       0.5492609     2.228801       0.8511431     0.7292514      0.7190114 
1 1 1 7  25 14 o 2.546556       0.5618063     3.533842       0.8693227     1.838497       0.7361972 
1 1 1 7  25 15 o 1.883300       0.5608790     1.927204       0.8664533     1.851634       0.7358570 
1 1 1 7  25 16 o -0.4679246E-01 0.5584568     0.3833953E-01  0.8589953     -0.1091176     0.7349809 
1 1 1 7  25 17 o 0.8358088      0.5797556     0.5364863      0.8641582     1.080802       0.7818092 
1 1 1 7  25 18 o 0.6263236      0.5823245     1.644111       0.8688844     -0.2036068     0.7846110 
1 1 1 7  25 19 o -0.1654652     0.5662035     0.4461619      0.8939388     -0.5752102     0.7316800 
1 1 1 7  26 0  o 2.891829       0.8407899     2.891829       0.5945282     ?              ?         
1 1 1 7  26 1  o 3.644960       0.5843955     4.285538       0.8225647     2.992102       0.8304112 
1 1 1 7  26 2  o 3.024099       0.5909765     2.685641       0.8118531     3.405596       0.8619269 
1 1 1 7  26 3  o 0.6293276      0.5894940     1.493264       0.8287448     -0.2554578     0.8386850 
1 1 1 7  26 4  o 1.035814       0.5948247     0.8895800      0.8290269     1.190970       0.8539448 
1 1 1 7  26 5  f 6.520113       0.6184476     6.022063       0.8595318     7.054729       0.8905253 
1 1 1 7  26 6  o 6.252972       0.5962608     5.898630       0.8062019     6.680837       0.8859022 
1 1 1 7  26 7  o 2.097814       0.6095914     1.260611       0.8389983     3.033988       0.8872048 
1 1 1 7  26 8  o 2.933431       0.5694576     2.933865       0.8547282     2.933084       0.7636206 
1 1 1 7  26 9  o 6.577708       0.6296219     7.280050       0.8862959     5.862140       0.8946017 
1 1 1 7  26 10 o 6.185068       0.6000258     5.988505       0.8456650     6.384349       0.8514943 
1 1 1 7  26 11 o 9.130732       0.6101029     9.501515       0.8699026     8.771789       0.8558994 
1 1 1 7  26 12 o 10.55747       0.6361932     11.16433       0.9417195     10.04798       0.8628687 
1 1 1 7  26 13 o 10.33936       0.6100182     11.41471       0.9356551     9.544318       0.8045127 
1 1 1 7  26 14 o 4.478128       0.5852222     5.345010       0.9101397     3.867071       0.7641333 
1 1 1 7  26 15 o 0.8092862      0.5814003     0.3798495      0.8674714     1.159510       0.7833907 
1 1 1 7  26 16 o -0.1391975     0.5776923     -0.9038798     0.8660074     0.4739005      0.7754360 
1 1 1 7  26 17 o -0.1204802     0.5852131     -0.1273121     0.9092450     -0.1156485     0.7646438 
1 1 1 7  27 0  o 1.980375       0.8430284     1.980375       0.5961111     ?              ?         
1 1 1 7  27 1  f 4.901547       0.6317251     4.890024       0.8903568     4.913229       0.8964628 
1 1 1 7  27 2  o 3.991075       0.6002944     3.854549       0.8436763     4.131065       0.8543124 
1 1 1 7  27 4  f -0.5460031     0.6178350     0.1965163E-01  0.8838657     -1.086485      0.8639752 
1 1 1 7  27 5  o 0.5033155      0.6242223     1.070645       0.8484788     -0.1660355     0.9216169 
1 1 1 7  27 6  o 0.6530090      0.6458538     0.3447131      0.9033435     0.9753901      0.9237488 
1 1 1 7  27 7  o 1.373872       0.5796303     2.005616       0.8936397     0.9150764      0.7615546 
1 1 1 7  27 8  o 1.448787       0.5492050     1.345851       0.8177719     1.533358       0.7412416 
1 1 1 7  27 9  o 1.371551       0.5859051     0.9439918      0.8907989     1.697544       0.7778322 
1 1 1 7  27 10 o 2.137301       0.6156459     2.914943       0.8815497     1.396948       0.8601543 
1 1 1 7  27 11 o 0.4080575      0.6068098     1.791025       0.8826205     -0.8315543     0.8356241 
1 1 1 7  27 12 o 1.775930       0.6239325     1.849896       0.9142839     1.711459       0.8535876 
1 1 1 7  27 13 o 0.5303884E-01  0.6276401     -0.1077043     0.9179488     0.1941624      0.8601062 
1 1 1 7  27 14 o 0.3294370      0.5925429     0.1878112      0.9122525     0.4327961      0.7793245 
1 1 1 7  28 0  o -0.5747892     0.8773115     -0.5747892     0.6203529     ?              ?         
1 1 1 7  28 1  o 3.237636       0.6563473     3.301608       0.9314569     3.174546       0.9250072 
1 1 1 7  28 2  o 5.761487       0.6576101     5.739639       0.9104085     5.785324       0.9509158 
1 1 1 7  28 3  o 10.22045       0.6659440     9.625182       0.9327230     10.83943       0.9511204 
1 1 1 7  28 4  o 5.362689       0.6774327     5.782216       0.9449276     4.919052       0.9717023 
1 1 1 7  28 5  o 1.517864       0.6670691     0.6475672      0.9312605     2.434980       0.9559817 
1 1 1 7  28 6  o 1.514693       0.6570488     2.400645       0.9353948     0.6518012      0.9231409 
1 1 1 7  28 7  o 1.147820       0.6053050     0.7015197      0.9033524     1.511483       0.8154427 
1 1 1 7  28 8  o 1.605186       0.6327699     1.787971       0.9411828     1.454419       0.8547868 
1 1 1 7  28 9  o 1.969097       0.6219111     2.613158       0.9441581     1.475488       0.8265575 
1 1 1 7  28 10 o 1.300922       0.6353225     1.014685       0.9314427     1.549947       0.8687891 
1 1 1 7  28 11 o 0.3768135      0.6361092     0.6190510      0.9301327     0.1639683      0.8718789 
1 1 1 7  29 0  f -0.8426657     0.9271643     -0.8426657     0.6556041     ?              ?         
1 1 1 7  29 1  o -0.5715346     0.6487417     -0.7092983     0.9224973     -0.4367399     0.9125031 
1 1 1 7  29 2  o 1.099798       0.6738557     1.885215       0.9514614     0.3093606      0.9544975 
1 1 1 7  29 3  o 0.5410810      0.6789278     0.4153583E-01  0.9656300     1.029443       0.9547601 
1 1 1 7  29 4  f 2.616907       0.6511232     2.869362       0.9022901     2.342585       0.9405561 
1 1 1 7  29 5  o 4.041997       0.6635711     3.665555       0.9401909     4.415633       0.9366813 
1 1 1 7  29 6  o 0.8897961      0.6757476     0.3956107      0.9249733     1.455449       0.9895995 
1 1 1 7  29 7  o 0.6829588      0.6616792     0.2681176      0.9822060     1.027658       0.8953279 
1 1 1 8  0  0  o 281.7595       4.787755      281.7595       3.385454      ?              ?         
1 1 1 8  0  1  o 155.8085       2.117593      155.8085       1.497364      ?              ?         
1 1 1 8  0  2  o 8.653109       0.3169966     8.653109       0.2241504     ?              ?         
1 1 1 8  0  3  o 117.9445       1.647484      117.9445       1.164947      ?              ?         
1 1 1 8  0  4  o 69.28221       1.065191      69.28221       0.7532035     ?              ?         
1 1 1 8  0  5  o 37.78251       0.6242808     37.78251       0.4414332     ?              ?         
1 1 1 8  0  6  o 2.582722       0.2108744     2.582722       0.1491107     ?              ?         
1 1 1 8  0  7  o 60.94209       0.8828289     60.94209       0.6242543     ?              ?         
1 1 1 8  0  8  o 53.54299       0.8085793     53.54299       0.5717520     ?              ?         
1 1 1 8  0  9  o 88.37398       1.213202      88.37398       0.8578631     ?              ?         
1 1 1 8  0  10 o 103.9018       1.411360      103.9018       0.9979821     ?              ?         
1 1 1 8  0  11 o 170.6155       2.174328      170.6155       1.537482      ?              ?         
1 1 1 8  0  12 o 281.3266       3.547863      281.3266       2.508718      ?              ?         
1 1 1 8  0  13 o 355.9073       4.431404      355.9073       3.133476      ?              ?         
1 1 1 8  0  14 o 189.4829       2.675914      189.4829       1.892157      ?              ?         
1 1 1 8  0  15 o 38.22132       0.7611402     38.22132       0.5382074     ?              ?         
1 1 1 8  0  16 o 193.3655       2.828058      193.3655       1.999739      ?              ?         
1 1 1 8  0  17 o 7.011930       0.4584847     7.011930       0.3241977     ?              ?         
1 1 1 8  0  18 o 69.33229       1.235718      69.33229       0.8737848     ?              ?         
1 1 1 8  0  19 f -0.2565926     0.4845576     -0.2565926     0.3426340     ?              ?         
1 1 1 8  0  20 o 13.61517       0.6087162     13.61517       0.4304273     ?              ?         
1 1 1 8  0  21 o 0.5804045E-01  0.5537965     0.5804045E-01  0.3915932     ?              ?         
1 1 1 8  0  22 o 20.39808       0.7370824     20.39808       0.5211959     ?              ?         
1 1 1 8  0  23 o 0.3154795      0.6247019     0.3154795      0.4417309     ?              ?         
1 1 1 8  0  24 o 2.716343       0.6392536     2.716343       0.4520205     ?              ?         
1 1 1 8  0  25 f 1.391226       0.5997952     1.391226       0.4241192     ?              ?         
1 1 1 8  0  26 o 0.4277447      0.6343380     0.4277447      0.4485447     ?              ?         
1 1 1 8  0  27 o 0.8298306      0.6415313     0.8298306      0.4536311     ?              ?         
1 1 1 8  0  28 o 1.225721       0.6468717     1.225721       0.4574074     ?              ?         
1 1 1 8  0  29 o 3.155974       0.6802739     3.155974       0.4810263     ?              ?         
1 1 1 8  0  30 o 0.3893476      0.6998312     0.3893476      0.4948554     ?              ?         
1 1 1 8  0  31 o 0.6906419      0.7051371     0.6906419      0.4986072     ?              ?         
1 1 1 8  0  32 o -0.4822993     0.7436525     -0.4822993     0.5258417     ?              ?         
1 1 1 8  0  33 o -0.5930205E-01 0.7564279     -0.5930205E-01 0.5348753     ?              ?         
1 1 1 8  0  34 f -0.7881907     0.7796128     -0.7881907     0.5512695     ?              ?         
1 1 1 8  0  35 f 0.8966609      0.8312851     0.8966609      0.5878074     ?              ?         
1 1 1 8  1  0  o 346.8865       4.031959      346.8865       2.851026      ?              ?         
1 1 1 8  1  1  o 77.14172       0.8350365     78.50068       1.187254      75.81139       1.174686  
1 1 1 8  1  2  o 61.56931       0.6956946     62.22620       0.9875857     60.92223       0.9801777 
1 1 1 8  1  3  o 33.01501       0.4192693     33.32450       0.5780867     32.67154       0.6089923 
1 1 1 8  1  4  f 24.93340       0.3479306     23.73024       0.4688778     26.40774       0.5190322 
1 1 1 8  1  5  o 84.18165       0.8534989     86.60886       1.180328      81.52165       1.235630  
1 1 1 8  1  6  o 2.987779       0.1460895     3.188057       0.2227756     2.836671       0.1935060 
1 1 1 8  1  7  o 6.503636       0.1671293     7.158818       0.2534733     5.999714       0.2222965 
1 1 1 8  1  8  o 90.63859       0.9177740     91.88647       1.292012      89.36758       1.303927  
1 1 1 8  1  9  o 31.57236       0.4165240     32.29380       0.5854290     30.83278       0.5927470 
1 1 1 8  1  10 o 14.95104       0.2576042     15.42947       0.3403196     14.30912       0.3942063 
1 1 1 8  1  11 o 255.8470       2.209456      254.9406       2.930445      257.0409       3.363389  
1 1 1 8  1  12 o 3.718056       0.2029926     3.907533       0.2613230     3.429779       0.3223324 
1 1 1 8  1  13 o 114.6511       1.209845      113.0806       1.692465      116.2922       1.730114  
1 1 1 8  1  14 o 141.3896       1.470664      142.8105       2.074879      139.9552       2.084821  
1 1 1 8  1  15 o 11.63696       0.3087094     11.20047       0.4314682     12.09478       0.4418799 
1 1 1 8  1  16 o 18.93234       0.3895476     18.45003       0.5431476     19.44321       0.5590015 
1 1 1 8  1  17 o 2.432235       0.2963645     2.832690       0.4076185     1.983150       0.4316595 
1 1 1 8  1  18 o 45.65573       0.6559935     46.72755       0.9298378     44.59365       0.9256065 
1 1 1 8  1  19 o 9.120308       0.3812247     9.452559       0.5280468     8.758612       0.5509485 
1 1 1 8  1  20 o 78.09222       0.9970129     79.13242       1.411257      77.05575       1.408724  
1 1 1 8  1  21 o 12.80361       0.4652737     12.96724       0.6467909     12.62813       0.6698052 
1 1 1 8  1  22 o 46.89163       0.7353203     47.14320       1.029459      46.62960       1.050665  
1 1 1 8  1  23 o 7.794913       0.4644448     7.013908       0.6451176     8.635296       0.6691919 
1 1 1 8  1  24 o 12.19318       0.4972874     12.07480       0.6995290     12.31412       0.7070728 
1 1 1 8  1  25 o 8.500976       0.4759782     8.604444       0.6755343     8.398965       0.6707606 
1 1 1 8  1  26 o 7.001285       0.4696374     6.749228       0.6524014     7.272382       0.6765944 
1 1 1 8  1  27 f 1.272254       0.4442013     1.548224       0.6248286     0.9902545      0.6316174 
1 1 1 8  1  28 f 2.938719       0.4724063     1.928415       0.6611341     3.992647       0.6752566 
1 1 1 8  1  29 f 1.391766       0.4753377     1.770151       0.6610571     0.9866763      0.6839871 
1 1 1 8  1  30 o -0.5482605E-01 0.4824735     -0.5476376E-01 0.6835814     -0.5488788E-01 0.6810666 
1 1 1 8  1  31 o 0.1267404      0.5073894     -0.2300922     0.7114941     0.4960004      0.7237776 
1 1 1 8  1  32 o 0.1507200      0.5229825     -0.4814939     0.7411243     0.7777892      0.7381027 
1 1 1 8  1  33 o 0.7947464      0.5314765     0.2806859      0.7390836     1.345230       0.7648194 
1 1 1 8  1  34 o -0.3818475E-01 0.5630569     -0.1568565     0.7993201     0.7870016E-01  0.7932796 
1 1 1 8  1  35 o 0.3834039E-01  0.5694661     0.2719433      0.7963828     -0.2060841     0.8146202 
1 1 1 8  2  0  o 63.95062       1.020974      63.95062       0.7219378     ?              ?         
1 1 1 8  2  1  o 94.01796       0.9623724     91.41200       1.318093      96.99319       1.408390  
1 1 1 8  2  2  o 73.45651       0.7841672     74.91129       1.084927      71.86518       1.134706  
1 1 1 8  2  3  o 58.98819       0.6618315     62.01876       0.9259616     55.82295       0.9463124 
1 1 1 8  2  4  o 35.33036       0.4435423     33.71329       0.6014635     37.25806       0.6566967 
1 1 1 8  2  5  f 7.495631       0.1975987     7.020782       0.2803150     7.964642       0.2785865 
1 1 1 8  2  6  f 3.881868       0.1666488     3.384872       0.2418394     4.331248       0.2299629 
1 1 1 8  2  7  o 301.9072       2.471174      306.3306       3.550704      297.7519       3.441394  
1 1 1 8  2  8  o 66.42479       0.7429646     65.78372       0.9868665     67.26351       1.128800  
1 1 1 8  2  9  o 20.78465       0.4049182     22.25486       0.6194695     19.68787       0.5350440 
1 1 1 8  2  10 o 117.3893       1.384556      115.2618       2.040383      119.2050       1.884955  
1 1 1 8  2  11 o 140.5833       1.716866      139.7437       2.423631      141.4289       2.432424  
1 1 1 8  2  12 o 155.0758       1.883538      153.0127       2.650815      157.1795       2.676826  
1 1 1 8  2  13 o 201.9076       1.976121      199.9552       2.680781      204.2309       2.924398  
1 1 1 8  2  14 o 34.05315       0.4905875     33.79710       0.6909595     34.31344       0.6966667 
1 1 1 8  2  15 o 80.86788       0.9408693     81.17577       1.317243      80.54718       1.344352  
1 1 1 8  2  16 o 22.36847       0.4232758     22.42732       0.5919303     22.30688       0.6055053 
1 1 1 8  2  17 o 0.3831080      0.2818848     0.7402404E-01  0.3829602     0.7485802      0.4164305 
1 1 1 8  2  18 o 9.562638       0.3554164     9.418311       0.4904556     9.722249       0.5157687 
1 1 1 8  2  19 o 5.784287       0.3619504     6.099439       0.5018280     5.442570       0.5225510 
1 1 1 8  2  20 f 16.18594       0.4536305     16.55822       0.6379121     15.80509       0.6452110 
1 1 1 8  2  21 o 12.49305       0.4619451     12.97499       0.6424557     11.97717       0.6646895 
1 1 1 8  2  22 o 7.768338       0.4573878     8.813447       0.6386626     6.667907       0.6553481 
1 1 1 8  2  23 o 5.680331       0.4549998     5.559357       0.6186848     5.822835       0.6714872 
1 1 1 8  2  24 o 3.286239       0.4516999     2.390484       0.6317371     4.223203       0.6461054 
1 1 1 8  2  25 f 2.039509       0.4336358     1.961383       0.6061480     2.121407       0.6206152 
1 1 1 8  2  26 o 4.276389       0.4568279     3.636848       0.6363532     4.956462       0.6562087 
1 1 1 8  2  27 f 2.679249       0.4497740     2.709036       0.6305162     2.648386       0.6417865 
1 1 1 8  2  28 o -0.1093808     0.4556239     0.6635456      0.6426230     -0.8906696     0.6460900 
1 1 1 8  2  29 o 0.2992721E-01  0.4725387     -0.3783394     0.6518448     0.4821048      0.6860042 
1 1 1 8  2  30 o 4.207902       0.5038869     3.202844       0.7072678     5.243873       0.7180622 
1 1 1 8  2  31 o 5.338771       0.5168024     5.496508       0.7256655     5.176428       0.7361860 
1 1 1 8  2  32 f 3.434297       0.5321363     3.105175       0.7382419     3.790240       0.7677327 
1 1 1 8  2  33 o 0.7973421      0.5441204     0.3861184      0.7739511     1.199245       0.7651296 
1 1 1 8  2  34 o -0.4900133     0.5575039     -1.166464      0.7812606     0.2118481      0.7957996 
1 1 1 8  2  35 o 1.284116       0.5773931     1.217436       0.8094181     1.353201       0.8238884 
1 1 1 8  3  0  o 8.627368       0.3109714     8.627368       0.2198900     ?              ?         
1 1 1 8  3  1  o 32.56875       0.4264067     31.51532       0.5798689     33.80907       0.6292087 
1 1 1 8  3  2  o 35.15573       0.4493649     33.45712       0.6084701     37.19365       0.6664802 
1 1 1 8  3  3  f 39.22895       0.4707829     37.40946       0.6570006     41.14915       0.6749367 
1 1 1 8  3  4  o 99.58014       0.9896329     101.6768       1.407605      97.53079       1.391636  
1 1 1 8  3  5  o 164.4668       1.488455      165.0665       2.126222      163.8904       2.084388  
1 1 1 8  3  6  f 91.23162       0.9095656     94.71883       1.310435      87.98980       1.263489  
1 1 1 8  3  7  o 70.41795       0.7782902     70.00013       1.115598      70.81414       1.086323  
1 1 1 8  3  8  o 163.0462       1.567508      161.4897       2.093363      165.0329       2.364990  
1 1 1 8  3  9  o 170.5952       1.901354      172.3507       2.831069      169.1528       2.566238  
1 1 1 8  3  10 o 19.56992       0.4378621     20.07757       0.6239277     19.07729       0.6146380 
1 1 1 8  3  11 o 36.52763       0.6171241     36.46417       0.8796188     36.58914       0.8660305 
1 1 1 8  3  12 f 64.59585       0.9235415     66.52626       1.321182      62.75121       1.291494  
1 1 1 8  3  13 o 121.1401       1.308122      119.7817       1.654238      123.4073       2.137061  
1 1 1 8  3  14 o 110.8405       1.171660      108.6072       1.528825      114.0190       1.823914  
1 1 1 8  3  15 o 33.38014       0.5049516     33.12635       0.7140383     33.63403       0.7141805 
1 1 1 8  3  16 o 107.8411       1.213444      107.7054       1.696430      107.9833       1.736405  
1 1 1 8  3  17 o 106.1293       1.206129      106.0875       1.690976      106.1725       1.720864  
1 1 1 8  3  18 o 44.82047       0.6538394     45.42626       0.9267633     44.22013       0.9225879 
1 1 1 8  3  19 o 80.96510       1.001113      80.27992       1.406592      81.66850       1.425166  
1 1 1 8  3  20 o 27.65119       0.5425921     28.15580       0.7702036     27.15402       0.7645103 
1 1 1 8  3  21 o 2.694314       0.3994030     3.174294       0.5392830     2.111180       0.5944155 
1 1 1 8  3  22 o 9.474730       0.4600676     9.289851       0.6396218     9.672911       0.6622348 
1 1 1 8  3  23 o 2.450688       0.4284329     3.165838       0.5885612     1.644611       0.6248577 
1 1 1 8  3  24 o 4.230595       0.4336885     3.970906       0.6029906     4.508887       0.6242162 
1 1 1 8  3  25 f 5.646343       0.4525271     5.577552       0.6289939     5.720153       0.6515414 
1 1 1 8  3  26 f 3.781214       0.4521504     3.553997       0.6294529     4.023441       0.6499124 
1 1 1 8  3  27 o 0.8608211      0.4477645     1.483518       0.6197731     0.1809254      0.6476130 
1 1 1 8  3  28 o 4.682721       0.4696693     4.152288       0.6454142     5.279789       0.6847556 
1 1 1 8  3  29 o -0.2949512     0.4673944     -0.3217731     0.6562138     -0.2673329     0.6658831 
1 1 1 8  3  30 o 1.682053       0.4920962     1.192376       0.6923943     2.181860       0.6995185 
1 1 1 8  3  31 o 1.122240       0.5014832     0.8679990      0.7119287     1.372626       0.7065111 
1 1 1 8  3  32 o 0.5695447      0.5236689     0.2547360E-01  0.7328759     1.137109       0.7485316 
1 1 1 8  3  33 o 0.4876784      0.5357823     0.6930074      0.7485746     0.2720105      0.7671894 
1 1 1 8  3  34 o 0.1612121      0.5551167     0.4693590      0.7862722     -0.1450317     0.7838405 
1 1 1 8  3  35 o -0.4728589     0.5529096     0.3309271      0.7711899     -1.323044      0.7931364 
1 1 1 8  4  0  o 4.904954       0.3041933     4.904954       0.2150971     ?              ?         
1 1 1 8  4  1  o 3.881067       0.1990241     4.243597       0.2931924     3.571257       0.2710365 
1 1 1 8  4  2  o 33.19864       0.4150120     32.95066       0.6009445     33.42474       0.5738254 
1 1 1 8  4  3  o 17.36547       0.2982702     17.20207       0.4219894     17.52861       0.4216463 
1 1 1 8  4  4  o 256.6918       2.187626      260.5625       3.115798      252.9287       3.072204  
1 1 1 8  4  5  f 34.43298       0.4366971     34.90663       0.6201552     33.96710       0.6150426 
1 1 1 8  4  6  o 3.368370       0.1899171     3.801054       0.2745715     2.971476       0.2629706 
1 1 1 8  4  7  o 11.06409       0.2493859     11.04592       0.3681383     11.07950       0.3390273 
1 1 1 8  4  8  o 52.37762       0.6250020     51.07079       0.8855884     53.67445       0.8821938 
1 1 1 8  4  9  o 164.5584       1.599350      164.6694       2.207015      164.4356       2.320928  
1 1 1 8  4  10 o 395.3164       4.292450      400.6700       6.162041      390.2698       5.982808  
1 1 1 8  4  11 f 120.7747       1.533036      120.9883       2.175304      120.5640       2.160848  
1 1 1 8  4  12 o 220.5067       2.606026      216.3663       3.666540      224.7338       3.704712  
1 1 1 8  4  13 o 74.17373       0.8826686     73.73287       1.196918      74.69931       1.306881  
1 1 1 8  4  14 o 235.2104       2.210615      232.8432       2.956448      238.2123       3.329206  
1 1 1 8  4  15 o 60.26074       0.7232459     60.41096       0.9836470     60.08396       1.067089  
1 1 1 8  4  16 o 74.81817       0.8639303     75.21761       1.179421      74.35571       1.269061  
1 1 1 8  4  17 o 21.02255       0.4327278     20.68675       0.6044850     21.37550       0.6197392 
1 1 1 8  4  18 o 1.653935       0.3074615     1.416361       0.4102607     1.958329       0.4643844 
1 1 1 8  4  19 o 19.27940       0.4557722     19.85866       0.6390351     18.67966       0.6502292 
1 1 1 8  4  20 o 8.542301       0.4023628     9.047958       0.5498338     7.959314       0.5903813 
1 1 1 8  4  21 o 0.3925053      0.3803914     1.042153       0.5137388     -0.3959083     0.5659531 
1 1 1 8  4  22 o 1.905640       0.4063063     2.213768       0.5592822     1.561272       0.5912580 
1 1 1 8  4  23 o 0.7931871      0.4093500     1.040600       0.5509776     0.4883662      0.6115685 
1 1 1 8  4  24 o 18.09222       0.5178172     17.66080       0.7170606     18.56237       0.7485631 
1 1 1 8  4  25 o 2.084157       0.4222677     1.896924       0.5727461     2.307132       0.6250264 
1 1 1 8  4  26 o 3.097198       0.4347484     3.407482       0.5947689     2.741217       0.6370618 
1 1 1 8  4  27 o 1.615512       0.4532652     1.880943       0.6182456     1.307032       0.6664981 
1 1 1 8  4  28 o 2.664986       0.4640757     2.744234       0.6306968     2.571420       0.6853029 
1 1 1 8  4  29 o -0.8304845E-01 0.4689190     -0.1176895     0.6592269     -0.4756999E-01 0.6671472 
1 1 1 8  4  30 o 0.3804480      0.4882211     0.8653972      0.6713973     -0.1637352     0.7112201 
1 1 1 8  4  31 o 0.4016906      0.5000531     0.2434361      0.6906667     0.5760417      0.7249414 
1 1 1 8  4  32 o 0.1092119      0.5208604     -0.5552637E-02 0.7139461     0.2397993      0.7615741 
1 1 1 8  4  33 o 0.2782385      0.5438989     0.7137341      0.7622422     -0.1735032     0.7763296 
1 1 1 8  4  34 o 0.7355455      0.5506842     0.2716429      0.7597127     1.249144       0.7993698 
1 1 1 8  4  35 o 0.2960516      0.5743176     0.7182191      0.7944636     -0.1660571     0.8311965 
1 1 1 8  5  0  o 1.960072       0.2817733     1.960072       0.1992438     ?              ?         
1 1 1 8  5  1  o 74.63342       0.7756432     73.15821       1.118777      75.99876       1.076305  
1 1 1 8  5  2  o 43.99833       0.5158890     43.79881       0.7490116     44.17842       0.7115812 
1 1 1 8  5  3  o 138.1965       1.291273      137.4754       1.871088      138.8523       1.784274  
1 1 1 8  5  4  o 93.14098       0.9394066     94.40729       1.383987      92.05910       1.279231  
1 1 1 8  5  5  f 186.5044       1.697228      192.0928       2.431292      181.1926       2.370353  
1 1 1 8  5  6  o 54.06448       0.6367719     55.51539       0.9428123     52.84750       0.8634723 
1 1 1 8  5  7  o 15.47971       0.3004968     16.80872       0.4571991     14.46897       0.3987128 
1 1 1 8  5  8  o 195.3741       1.789490      194.8077       2.635426      195.8586       2.437579  
1 1 1 8  5  9  o 94.18982       0.9422912     92.82173       1.441609      95.21033       1.245088  
1 1 1 8  5  10 o 33.65026       0.4695128     33.19843       0.6719712     34.08126       0.6562892 
1 1 1 8  5  11 o 128.9939       1.351704      127.3295       1.912146      130.6564       1.911052  
1 1 1 8  5  12 o 79.68012       0.9276890     79.52212       1.287097      79.85094       1.338302  
1 1 1 8  5  13 o 79.22061       0.9362850     77.90679       1.286205      80.70156       1.365570  
1 1 1 8  5  14 o 19.90518       0.3599714     20.01967       0.4843332     19.76388       0.5380456 
1 1 1 8  5  15 o 7.155465       0.2578177     6.785847       0.3316509     7.719967       0.4098618 
1 1 1 8  5  16 o 38.34591       0.5503202     38.94538       0.7534815     37.66050       0.8056785 
1 1 1 8  5  17 f 12.23382       0.3381352     12.44956       0.4367950     11.91120       0.5341543 
1 1 1 8  5  18 o 8.336393       0.3289579     8.303975       0.4215181     8.386894       0.5261096 
1 1 1 8  5  19 o 2.853840       0.3125367     2.896598       0.3866951     2.773295       0.5307363 
1 1 1 8  5  20 o 6.200297       0.4099318     6.232083       0.5470551     6.159594       0.6190619 
1 1 1 8  5  21 o 8.955911       0.4384781     9.262249       0.6031318     8.612495       0.6385894 
1 1 1 8  5  22 o 6.737678       0.4361980     7.229219       0.5967684     6.173812       0.6391659 
1 1 1 8  5  23 o 3.071662       0.4176698     3.136351       0.5633512     2.992701       0.6224024 
1 1 1 8  5  24 o 2.452986       0.4170953     2.948178       0.5700610     1.882474       0.6118804 
1 1 1 8  5  25 o 1.022067       0.4179867     0.7398508      0.5672173     1.357436       0.6183294 
1 1 1 8  5  26 o 2.823284       0.4236005     2.294366       0.5703959     3.473719       0.6325343 
1 1 1 8  5  27 o 1.268053       0.4326935     1.362461       0.6005707     1.166155       0.6239402 
1 1 1 8  5  28 o 0.4151140      0.4518507     0.6313815      0.6224766     0.1742349      0.6569421 
1 1 1 8  5  29 o 0.2352602E-01  0.4556941     -0.5070929     0.6204980     0.6447846      0.6714060 
1 1 1 8  5  30 o 2.424291       0.4853998     2.484980       0.6680959     2.356439       0.7064246 
1 1 1 8  5  31 o 1.442413       0.5158424     1.866192       0.7070547     0.9601675      0.7542531 
1 1 1 8  5  32 o 3.674846       0.6054125     3.754220       0.9664477     3.623581       0.7766905 
1 1 1 8  5  33 o 0.1061487      0.5320656     0.5500823      0.7240386     -0.4150252     0.7845019 
1 1 1 8  5  34 o 0.3748688      0.5947511     0.7512286      0.8229138     -0.3671260E-01 0.8605588 
1 1 1 8  5  35 o -0.5445992     0.5580147     -0.2836529     0.7695256     -0.8339747     0.8103608 
1 1 1 8  6  0  f 118.3012       1.588938      118.3012       1.123549      ?              ?         
1 1 1 8  6  1  o 88.12769       0.8749780     87.69606       1.237938      88.55857       1.236874  
1 1 1 8  6  2  o 26.44662       0.3741542     27.56954       0.5363988     25.38254       0.5221567 
1 1 1 8  6  3  o 142.3754       1.334303      143.6366       1.941799      141.2473       1.836572  
1 1 1 8  6  4  o 18.79078       0.3271574     20.62073       0.4833867     17.24404       0.4444080 
1 1 1 8  6  5  o 43.59629       0.5234762     43.30687       0.7622698     43.85460       0.7201397 
1 1 1 8  6  6  o 128.0743       1.280825      127.0974       1.928199      128.8459       1.713474  
1 1 1 8  6  7  o 44.71271       0.5682162     43.43409       0.8324203     45.82829       0.7775419 
1 1 1 8  6  8  o 64.02893       0.7432595     63.52505       1.086886      64.47155       1.018681  
1 1 1 8  6  9  o 22.77843       0.3778565     23.11543       0.5626550     22.50161       0.5099620 
1 1 1 8  6  10 o 95.05718       1.007066      97.97738       1.504856      92.68867       1.355273  
1 1 1 8  6  11 o 63.76467       0.7571736     62.27439       1.148370      64.91082       1.007095  
1 1 1 8  6  12 o 128.7646       1.347329      128.2254       1.934208      129.2729       1.877863  
1 1 1 8  6  13 o 52.06742       0.6808516     51.99596       0.9752316     52.13537       0.9509661 
1 1 1 8  6  14 o 108.5401       1.209630      106.7790       1.719150      110.2668       1.702324  
1 1 1 8  6  15 f 71.21053       0.8429978     70.71703       1.157682      71.76758       1.229956  
1 1 1 8  6  16 o 38.81544       0.5680166     38.49367       0.7763038     39.18622       0.8333168 
1 1 1 8  6  17 f 7.772405       0.3140511     7.394708       0.4055606     8.338097       0.4963339 
1 1 1 8  6  18 o 0.6070438      0.2914362     0.3883693      0.3652797     0.9900405      0.4834193 
1 1 1 8  6  19 o 7.522836       0.3543902     7.260752       0.4511943     7.944921       0.5725888 
1 1 1 8  6  20 o 62.70923       0.8378690     61.96910       1.134791      63.59632       1.242352  
1 1 1 8  6  21 o 26.70396       0.5458071     26.13090       0.7332299     27.41611       0.8173848 
1 1 1 8  6  22 o 17.39267       0.4801556     17.12749       0.6304621     17.75891       0.7409176 
1 1 1 8  6  23 o 2.929176       0.3890148     2.826425       0.4963839     3.092743       0.6262887 
1 1 1 8  6  24 o 2.948627       0.4202958     3.020894       0.5747668     2.865575       0.6161666 
1 1 1 8  6  25 f 3.326824       0.4316819     3.007178       0.5975931     3.675635       0.6242604 
1 1 1 8  6  26 o 1.775980       0.4231732     1.155722       0.5623067     2.586061       0.6426161 
1 1 1 8  6  27 o 0.6179937      0.4299285     0.8712602      0.5769808     0.3018329      0.6446536 
1 1 1 8  6  28 o 1.239147       0.4451374     0.7577208      0.6163560     1.764014       0.6435637 
1 1 1 8  6  29 o 0.6773166      0.4541782     1.158292       0.6289194     0.1530977      0.6565832 
1 1 1 8  6  30 o 0.4633905E-01  0.4681618     -0.3409671     0.6466156     0.4730488      0.6787115 
1 1 1 8  6  31 o 1.134052       0.4920427     1.426801       0.6758708     0.8039274      0.7177202 
1 1 1 8  6  32 o -0.3636240     0.5086787     0.3448807      0.7007495     -1.152827      0.7395809 
1 1 1 8  6  33 o 0.3568578      0.5355182     -0.1924036     0.7361765     0.9741457      0.7804341 
1 1 1 8  6  34 o 0.6774123      0.5480351     1.392089       0.7568263     -0.1104491     0.7946326 
1 1 1 8  7  0  o 102.6560       1.420181      102.6560       1.004219      ?              ?         
1 1 1 8  7  1  o 43.80124       0.5195510     42.84261       0.7304423     44.78284       0.7391472 
1 1 1 8  7  2  f 53.75274       0.6045873     53.91666       0.8570999     53.59040       0.8529463 
1 1 1 8  7  3  o 30.63269       0.4174623     30.48249       0.5914167     30.78184       0.5893503 
1 1 1 8  7  4  o 111.6926       1.112189      110.2148       1.610411      113.0403       1.537844  
1 1 1 8  7  5  o 41.24746       0.5300877     40.61579       0.7999521     41.74197       0.7077935 
1 1 1 8  7  6  o 41.15213       0.5334944     42.45216       0.8186237     40.19238       0.7033733 
1 1 1 8  7  7  o 30.24107       0.4434098     31.10457       0.6807776     29.60484       0.5843598 
1 1 1 8  7  8  o 160.8530       1.561505      160.0961       2.339132      161.4615       2.097224  
1 1 1 8  7  9  f 79.97268       0.9344091     80.50461       1.329052      79.45274       1.313984  
1 1 1 8  7  10 o 86.72742       1.015386      86.23884       1.511403      87.12933       1.370813  
1 1 1 8  7  11 o 21.05778       0.3797388     22.47110       0.5872589     20.04218       0.4978193 
1 1 1 8  7  12 o 40.85315       0.5602993     40.41622       0.8383042     41.20592       0.7532656 
1 1 1 8  7  13 f 1.011411       0.2675356     1.441433       0.3908300     0.6322334      0.3669983 
1 1 1 8  7  14 o 156.5806       1.655429      155.1417       2.371104      157.9489       2.312265  
1 1 1 8  7  15 o 197.2331       2.035413      195.3695       2.902340      199.0368       2.855254  
1 1 1 8  7  16 o 161.5702       1.674696      160.2922       2.297879      163.0180       2.445791  
1 1 1 8  7  17 o 24.92273       0.4725969     24.86243       0.6343622     24.99795       0.7084671 
1 1 1 8  7  18 o 38.14721       0.6002379     38.41600       0.8152094     37.82894       0.8870647 
1 1 1 8  7  19 o 1.328829       0.3413114     0.9065869      0.4328962     2.022547       0.5548738 
1 1 1 8  7  20 o 11.89507       0.4214453     12.38199       0.5544794     11.22895       0.6485400 
1 1 1 8  7  21 o 1.510148       0.3794874     1.333176       0.4844123     1.791310       0.6105787 
1 1 1 8  7  22 o 0.7038431      0.3730834     0.7185805      0.4740980     0.6798728      0.6046358 
1 1 1 8  7  23 o 0.5566471      0.3840705     0.3080204      0.4917940     0.9453538      0.6149225 
1 1 1 8  7  24 o 0.7245676      0.3886982     0.9038935      0.4984562     0.4463194      0.6209000 
1 1 1 8  7  25 o 0.6951169      0.3937389     1.029557       0.5037914     0.1702058      0.6311528 
1 1 1 8  7  26 o 2.032722       0.4082467     2.206741       0.5240466     1.764074       0.6511216 
1 1 1 8  7  27 o 0.2463181E-01  0.3904565     0.5704967      0.4964195     -0.8609182     0.6322849 
1 1 1 8  7  28 o 0.7048796      0.4484754     0.5237573      0.6036545     0.9280038      0.6700016 
1 1 1 8  7  29 o 0.5131766      0.4577225     1.132481       0.6255233     -0.2006419     0.6715607 
1 1 1 8  7  30 f 0.1411601      0.4759805     0.1193893      0.6539100     0.1656942      0.6941685 
1 1 1 8  7  31 o 2.152992       0.5025790     3.059588       0.6919444     1.140649       0.7311860 
1 1 1 8  7  32 o 0.3175163      0.5132730     0.3128794      0.7012213     0.3228679      0.7533323 
1 1 1 8  7  33 o 0.1965957      0.5407797     0.4768254      0.7402852     -0.1240527     0.7918747 
1 1 1 8  7  34 o 0.7745728      0.5595541     0.8765430      0.7652347     0.6574025      0.8202888 
1 1 1 8  8  0  o 101.1198       1.430309      101.1198       1.011381      ?              ?         
1 1 1 8  8  1  o 46.84454       0.5591635     46.09825       0.7868160     47.60604       0.7947977 
1 1 1 8  8  2  o 35.16365       0.4687927     35.01841       0.6620934     35.30968       0.6638561 
1 1 1 8  8  3  o 13.97712       0.3125230     13.10195       0.4389178     14.87709       0.4450954 
1 1 1 8  8  4  o 133.3446       1.276178      130.1237       1.797244      136.6201       1.812429  
1 1 1 8  8  5  o 87.37173       0.9502164     86.45533       1.426398      88.10286       1.274082  
1 1 1 8  8  6  f 95.39923       1.019136      95.98027       1.538709      94.94512       1.360280  
1 1 1 8  8  7  o 201.8980       1.916049      205.9366       2.901527      198.7750       2.551499  
1 1 1 8  8  8  o 178.8341       1.731650      183.5629       2.625042      175.1909       2.304076  
1 1 1 8  8  9  f 174.8567       1.757542      177.4435       2.575763      172.6030       2.404179  
1 1 1 8  8  10 o 28.34428       0.4488360     27.84818       0.6866919     28.71430       0.5930533 
1 1 1 8  8  11 o 37.35029       0.5284311     38.05367       0.8125905     36.83487       0.6956026 
1 1 1 8  8  12 o 26.65251       0.4569802     26.28925       0.6931579     26.93178       0.6077643 
1 1 1 8  8  13 o 54.70670       0.7090903     53.86907       1.055141      55.39656       0.9575565 
1 1 1 8  8  14 o 37.17964       0.5929731     36.60149       0.8492888     37.72956       0.8282867 
1 1 1 8  8  15 f 21.80614       0.4664726     22.81495       0.6774709     20.89668       0.6432428 
1 1 1 8  8  16 f 99.35647       1.347710      97.31692       1.909389      101.3814       1.902528  
1 1 1 8  8  17 o 59.85116       0.7894195     60.16034       1.083839      59.50180       1.152101  
1 1 1 8  8  18 o 25.54570       0.5045129     25.64725       0.6845766     25.42497       0.7464039 
1 1 1 8  8  19 o 7.733152       0.3949246     8.070813       0.5152240     7.252166       0.6149254 
1 1 1 8  8  20 o 3.636741       0.3884409     4.030521       0.5069724     3.076925       0.6044781 
1 1 1 8  8  21 o 16.36407       0.4730319     16.11481       0.6265985     16.69436       0.7212870 
1 1 1 8  8  22 o 5.328306       0.4013316     5.673501       0.5171260     4.805518       0.6363946 
1 1 1 8  8  23 o 12.24047       0.4498547     11.78814       0.5960053     12.83933       0.6857808 
1 1 1 8  8  24 o 0.4301734      0.3896521     0.2330029      0.4981611     0.7409216      0.6253932 
1 1 1 8  8  25 o 5.355257       0.4168143     5.050231       0.5408086     5.801554       0.6541662 
1 1 1 8  8  26 o 4.002827       0.4316791     4.194691       0.5499668     3.694919       0.6967070 
1 1 1 8  8  27 o 3.400837       0.4298406     3.292821       0.5601552     3.555532       0.6703515 
1 1 1 8  8  28 f 1.424499       0.4243996     0.5691045      0.5572209     2.606192       0.6549327 
1 1 1 8  8  29 o 0.6102684      0.4313494     1.237047       0.5609307     -0.2967081     0.6747613 
1 1 1 8  8  30 o 0.6375501      0.4496681     0.8507529      0.5860667     0.3323967      0.7011482 
1 1 1 8  8  31 o 0.5296146      0.4726549     -0.2973194E-01 0.6116513     1.358728       0.7446812 
1 1 1 8  8  32 o 0.6673699      0.4815197     0.8783321      0.6293902     0.3696060      0.7477455 
1 1 1 8  8  33 o -0.4164857E-01 0.5180152     0.3190424      0.6812466     -0.5360762     0.7976053 
1 1 1 8  8  34 o -0.1175726     0.5476159     0.1416462      0.7504740     -0.4127760     0.8008720 
1 1 1 8  9  0  o 595.5045       6.526224      595.5045       4.614737      ?              ?         
1 1 1 8  9  1  o 504.9623       3.984554      506.0625       5.627512      503.8562       5.642539  
1 1 1 8  9  2  o 229.3921       2.055012      231.5378       2.909594      227.2562       2.902870  
1 1 1 8  9  3  o 77.27263       0.8263538     76.91437       1.165671      77.63455       1.171634  
1 1 1 8  9  4  o 118.9887       1.206893      117.8545       1.755084      120.0062       1.662302  
1 1 1 8  9  5  o 117.4700       1.191283      117.2746       1.736642      117.6437       1.637210  
1 1 1 8  9  6  o 188.5268       1.824327      184.7327       2.726889      191.6008       2.454528  
1 1 1 8  9  7  o 171.6233       1.872856      172.6559       2.758324      170.7401       2.551040  
1 1 1 8  9  8  o 100.4101       1.084813      98.77367       1.624586      101.7270       1.457322  
1 1 1 8  9  9  o 115.8378       1.259452      116.0674       1.839666      115.6352       1.727855  
1 1 1 8  9  10 o 48.10290       0.6324184     49.26742       0.9709990     47.24498       0.8334296 
1 1 1 8  9  11 o 7.714839       0.3190833     8.362370       0.5208229     7.325751       0.4037227 
1 1 1 8  9  12 o 66.50085       0.8032694     65.58723       1.213412      67.21355       1.071725  
1 1 1 8  9  13 o 24.54770       0.4554076     24.48644       0.7140800     24.58969       0.5912542 
1 1 1 8  9  14 o 41.23047       0.6168271     41.17417       0.9237078     41.27578       0.8286622 
1 1 1 8  9  15 o 0.7935309      0.3509673     1.167053       0.5326082     0.5068545      0.4666011 
1 1 1 8  9  16 o 1.663131       0.3705204     2.232290       0.5519241     1.196180       0.4999173 
1 1 1 8  9  17 o 18.15422       0.4558434     18.19696       0.6097246     18.10007       0.6863823 
1 1 1 8  9  18 f 4.272512       0.3741687     4.497859       0.5033758     3.994266       0.5593480 
1 1 1 8  9  19 o 11.01678       0.4265762     10.77594       0.5718154     11.31901       0.6405604 
1 1 1 8  9  20 o 8.396048       0.4244452     8.621998       0.5587893     8.087885       0.6525770 
1 1 1 8  9  21 o 7.593699       0.4225821     7.240088       0.5500340     8.103102       0.6601716 
1 1 1 8  9  22 o 15.15093       0.4710981     14.99578       0.6352903     15.34048       0.7021880 
1 1 1 8  9  23 o 1.733820       0.3841151     1.260944       0.5065269     2.373765       0.5892514 
1 1 1 8  9  24 o 6.522839       0.4214677     6.288029       0.5567966     6.837903       0.6449671 
1 1 1 8  9  25 o 2.467139       0.4012449     2.641380       0.5149344     2.197818       0.6401933 
1 1 1 8  9  26 o 1.939018       0.4146319     2.398045       0.5413672     1.287677       0.6448771 
1 1 1 8  9  27 o 2.007237       0.4216061     2.454417       0.5555777     1.400073       0.6473770 
1 1 1 8  9  28 o 1.417133       0.4429199     1.730368       0.5751674     0.9607293      0.6942775 
1 1 1 8  9  29 o 0.1012490E-01  0.4432394     0.5202908E-01  0.5744671     -0.5151841E-01 0.6967539 
1 1 1 8  9  30 o 0.6254030      0.4543076     0.6195400      0.5873344     0.6341358      0.7168143 
1 1 1 8  9  31 f 0.2556601E-01  0.4741046     0.1034063      0.6184213     -0.8540380E-01 0.7383878 
1 1 1 8  9  32 o 0.6047621      0.5021818     0.6062514      0.6507035     0.6025685      0.7896891 
1 1 1 8  9  33 o 0.5728679      0.5102750     0.3021831      0.6533306     0.9962785      0.8171126 
1 1 1 8  10 0  o 361.4689       4.304856      361.4689       3.043993      ?              ?         
1 1 1 8  10 1  o 297.0236       2.614304      294.1046       3.658484      300.0694       3.737139  
1 1 1 8  10 2  o 51.23856       0.6207491     51.64022       0.8776886     50.83656       0.8780549 
1 1 1 8  10 3  o 42.21124       0.5479167     40.97098       0.7664402     43.50761       0.7835866 
1 1 1 8  10 4  o 62.16190       0.7348349     61.77078       1.068200      62.51327       1.012466  
1 1 1 8  10 5  o 123.8949       1.304533      122.4348       1.837698      125.3781       1.852164  
1 1 1 8  10 6  o 94.00888       1.008806      94.87792       1.474750      93.24461       1.383000  
1 1 1 8  10 7  o 48.23796       0.6394449     49.66472       0.9742888     47.15832       0.8475273 
1 1 1 8  10 8  o 42.14531       0.5899556     42.96199       0.8967484     41.52211       0.7833486 
1 1 1 8  10 9  o 42.08681       0.6237539     42.33549       0.9089583     41.86547       0.8575291 
1 1 1 8  10 10 o 143.5021       1.482921      142.4022       2.232413      144.3706       1.983855  
1 1 1 8  10 11 o 73.56721       0.8752956     74.71089       1.332859      72.70000       1.160643  
1 1 1 8  10 12 f 140.5342       1.479504      140.1209       2.236449      140.8558       1.972911  
1 1 1 8  10 13 o 82.82619       0.9653004     80.56827       1.458596      84.58579       1.287617  
1 1 1 8  10 14 o 102.4159       1.145474      102.5977       1.729730      102.2739       1.528719  
1 1 1 8  10 15 o 0.6216629      0.3450690     0.1179368      0.5453115     0.9580771      0.4456404 
1 1 1 8  10 16 o 34.70398       0.6094293     34.54528       0.9072993     34.83443       0.8226339 
1 1 1 8  10 17 o 48.21004       0.7559007     48.06628       1.082141      48.34703       1.056336  
1 1 1 8  10 18 o 31.31885       0.5830272     32.01375       0.8091183     30.56838       0.8408466 
1 1 1 8  10 19 o 7.733293       0.4309821     7.195192       0.5850547     8.371773       0.6372919 
1 1 1 8  10 20 o 6.834100       0.4179667     6.524116       0.5543653     7.242416       0.6362467 
1 1 1 8  10 21 o 3.303330       0.4012890     3.286753       0.5380521     3.324110       0.6024005 
1 1 1 8  10 22 f 10.12976       0.4406376     10.58286       0.5846114     9.533752       0.6704903 
1 1 1 8  10 23 o 10.11105       0.4867557     10.38267       0.6772658     9.820858       0.7000526 
1 1 1 8  10 24 o 3.668000       0.4147232     3.206158       0.5527613     4.262794       0.6272990 
1 1 1 8  10 25 o 2.534637       0.4221663     2.438154       0.5602564     2.661391       0.6421552 
1 1 1 8  10 26 o 0.9609602      0.4130943     1.050588       0.5420901     0.8368292      0.6379536 
1 1 1 8  10 27 o 4.000350       0.4378867     4.210512       0.5786743     3.718784       0.6698030 
1 1 1 8  10 28 o 5.217931       0.4598556     5.136907       0.6070371     5.327046       0.7044493 
1 1 1 8  10 29 o 1.751708       0.4717070     1.536887       0.6394753     2.008112       0.6986319 
1 1 1 8  10 30 o -0.1251344     0.4660291     -0.6487675     0.6072080     0.6254299      0.7269722 
1 1 1 8  10 31 o 0.1117972E-01  0.4841761     0.4349058      0.6357138     -0.5741432     0.7471656 
1 1 1 8  10 32 f 0.7886066      0.5149298     0.7014184      0.6649112     0.9192517      0.8139194 
1 1 1 8  10 33 o 0.6422467      0.5207606     0.7466966      0.6785932     0.4926093      0.8122236 
1 1 1 8  11 0  o 31.59029       0.7586018     31.59029       0.5364125     ?              ?         
1 1 1 8  11 1  o 543.9146       4.452608      546.1404       6.306970      541.7028       6.286955  
1 1 1 8  11 2  o 191.6747       1.816158      191.6172       2.556578      191.7333       2.580458  
1 1 1 8  11 3  o 234.1458       2.204569      231.3576       3.202224      236.6580       3.039593  
1 1 1 8  11 4  o 170.2717       1.666664      172.0655       2.436005      168.6930       2.285248  
1 1 1 8  11 5  o 84.74680       0.9403741     83.86633       1.368729      85.53397       1.294180  
1 1 1 8  11 6  o 69.96960       0.8171137     68.37815       1.186782      71.40401       1.126704  
1 1 1 8  11 7  o 123.7062       1.280803      122.0308       1.854485      125.2341       1.771052  
1 1 1 8  11 8  o 114.4994       1.245016      113.2918       1.866615      115.4672       1.671015  
1 1 1 8  11 9  o 25.06338       0.5145905     25.54455       0.7550454     24.64602       0.7031992 
1 1 1 8  11 10 o 27.44908       0.5101438     27.81173       0.7941725     27.19432       0.6656329 
1 1 1 8  11 11 o 19.79437       0.4559231     18.68677       0.7087498     20.57625       0.5954854 
1 1 1 8  11 12 o 10.82452       0.3986767     10.86878       0.6397048     10.79641       0.5097864 
1 1 1 8  11 13 o 86.08471       1.011211      84.27635       1.527625      87.49508       1.349094  
1 1 1 8  11 14 o 31.92046       0.5649080     31.44540       0.8754159     32.25943       0.7394790 
1 1 1 8  11 15 o 59.30360       0.7921572     58.08937       1.204447      60.22922       1.051603  
1 1 1 8  11 16 o 6.427871       0.4167709     6.175741       0.6681130     6.588480       0.5332404 
1 1 1 8  11 17 o 1.384647       0.4259928     1.403675       0.6497205     1.370299       0.5641839 
1 1 1 8  11 18 o 2.580978       0.4256759     2.604472       0.6609728     2.564328       0.5564292 
1 1 1 8  11 19 o 4.609725       0.4128526     4.898974       0.5674508     4.284415       0.6017842 
1 1 1 8  11 20 o 17.27332       0.4994089     17.64433       0.6821854     16.84486       0.7331020 
1 1 1 8  11 21 o 18.73058       0.5154636     18.57516       0.7054508     18.90862       0.7550225 
1 1 1 8  11 22 o 20.48938       0.5278077     21.00747       0.7136958     19.86397       0.7841318 
1 1 1 8  11 23 f 7.248080       0.4325660     7.125647       0.5793453     7.402319       0.6502590 
1 1 1 8  11 24 o 2.886676       0.4160314     3.038048       0.5596569     2.699713       0.6219804 
1 1 1 8  11 25 o 1.117699       0.4192587     1.164234       0.5654732     1.060889       0.6247984 
1 1 1 8  11 26 o 4.432754       0.4411658     4.623684       0.5917370     4.193820       0.6619571 
1 1 1 8  11 27 o 2.595875       0.4347827     2.385634       0.5740216     2.878814       0.6659118 
1 1 1 8  11 28 o 0.3763783E-01  0.4392606     0.1726724      0.5704072     -0.1591301     0.6885564 
1 1 1 8  11 29 o 0.3702657      0.4560623     0.9841803      0.5930053     -0.5185527     0.7135282 
1 1 1 8  11 30 o -0.9945497E-02 0.4748197     -0.4998609E-01 0.6166514     0.4836843E-01  0.7441760 
1 1 1 8  11 31 o 0.6803633E-01  0.4975335     -0.4155304     0.6458513     0.7738915      0.7803009 
1 1 1 8  11 32 f -0.1392867     0.5099170     0.7960301E-01  0.6552223     -0.4754614     0.8120047 
1 1 1 8  11 33 o -0.1965910     0.5983785     0.4492427      0.7888217     -1.071913      0.9183379 
1 1 1 8  12 0  o 26.91885       0.6554850     26.91885       0.4634979     ?              ?         
1 1 1 8  12 1  o 31.83100       0.4996799     30.96576       0.6974560     32.74343       0.7162259 
1 1 1 8  12 2  o 25.07395       0.4659758     26.45780       0.6909657     23.91959       0.6310775 
1 1 1 8  12 3  o 49.05846       0.6527719     50.10989       0.9618964     48.16085       0.8887537 
1 1 1 8  12 4  f 0.7579001      0.3374365     0.7707987      0.4981685     0.7469651      0.4586872 
1 1 1 8  12 5  o 41.59133       0.6023993     42.40504       0.8888034     40.89994       0.8192797 
1 1 1 8  12 6  o 124.0744       1.297575      126.2500       1.904142      122.1882       1.772969  
1 1 1 8  12 7  o 68.81310       0.8343734     70.67436       1.225970      67.20708       1.138809  
1 1 1 8  12 8  o 17.00311       0.4408437     16.05232       0.6493556     17.81597       0.6004112 
1 1 1 8  12 9  o 1.387031       0.3949420     1.741549       0.5758925     1.072256       0.5426530 
1 1 1 8  12 10 o 41.45601       0.6388222     39.71157       0.9690189     42.79692       0.8495802 
1 1 1 8  12 11 f 84.76954       1.002827      83.34682       1.508809      85.89539       1.342191  
1 1 1 8  12 12 o 73.38766       0.9120182     74.18326       1.389299      72.78516       1.208994  
1 1 1 8  12 13 o 87.89082       1.041710      86.27924       1.573297      89.14888       1.390061  
1 1 1 8  12 14 o 85.32617       1.026143      82.88194       1.551742      87.22567       1.367944  
1 1 1 8  12 15 o 6.703196       0.4305937     6.579703       0.6907515     6.781682       0.5506826 
1 1 1 8  12 16 o 9.905993       0.4520826     9.936940       0.7245365     9.886263       0.5785136 
1 1 1 8  12 17 o 8.710870       0.4525096     8.306205       0.7267248     8.967117       0.5782984 
1 1 1 8  12 18 o 9.833373       0.4878813     9.327449       0.7364128     10.22915       0.6513312 
1 1 1 8  12 19 o 19.95072       0.5481803     20.27466       0.8221641     19.69146       0.7355371 
1 1 1 8  12 20 o 14.38889       0.4696752     13.79030       0.6563464     15.01710       0.6723862 
1 1 1 8  12 21 f 6.190912       0.4195428     5.872770       0.5865952     6.524080       0.6002879 
1 1 1 8  12 22 o 1.440718       0.3980668     1.557765       0.5554287     1.317108       0.5707884 
1 1 1 8  12 23 o 0.4544814      0.4024451     1.173237       0.5565184     -0.3334083     0.5826685 
1 1 1 8  12 24 o 2.566860       0.4176342     3.044074       0.5616998     1.976912       0.6245319 
1 1 1 8  12 25 o 1.333210       0.4254313     0.8513759      0.5732545     1.923936       0.6347333 
1 1 1 8  12 26 o 1.934061       0.4416095     2.505419       0.5964711     1.240937       0.6569623 
1 1 1 8  12 27 o 2.783959       0.4560444     3.328782       0.6090801     2.088812       0.6879946 
1 1 1 8  12 28 o 1.695423       0.4535801     2.056498       0.6057314     1.234523       0.6843594 
1 1 1 8  12 29 o 0.9158378      0.4812162     0.8263506      0.6298069     1.041362       0.7459167 
1 1 1 8  12 30 o 1.152944       0.4784408     1.454783       0.6372308     0.7629374      0.7243447 
1 1 1 8  12 31 o 0.4067539      0.5142938     0.3086931      0.6737700     0.5436473      0.7960772 
1 1 1 8  12 32 f 0.6348269      0.5202809     1.032175       0.6922185     0.1188922      0.7887781 
1 1 1 8  13 0  o 85.48432       1.344319      85.48432       0.9505770     ?              ?         
1 1 1 8  13 1  o 1.461516       0.3510299     1.317644       0.4825467     1.623226       0.5115877 
1 1 1 8  13 2  o 49.13709       0.6757087     48.69263       0.9876335     49.52821       0.9264873 
1 1 1 8  13 3  o 27.72464       0.5154904     27.48669       0.7590441     27.92834       0.7022865 
1 1 1 8  13 4  f 48.00707       0.6677530     46.44089       0.9744656     49.39354       0.9168559 
1 1 1 8  13 5  o 0.6270043      0.3735105     0.5759709      0.5399182     0.6738437      0.5172573 
1 1 1 8  13 6  o 146.2742       1.511851      146.8741       2.201658      145.7389       2.079710  
1 1 1 8  13 7  o 305.0344       2.878383      303.4276       4.181551      306.4813       3.968126  
1 1 1 8  13 8  o 282.6252       2.684282      279.4767       3.887194      285.4950       3.711214  
1 1 1 8  13 9  o 134.2135       1.457522      132.5120       2.050336      135.9518       2.072334  
1 1 1 8  13 10 o 77.18319       0.9486576     74.68695       1.416924      79.21122       1.277146  
1 1 1 8  13 11 o 3.501563       0.4064305     2.566611       0.6469797     4.111043       0.5223675 
1 1 1 8  13 12 o 42.81640       0.6794922     42.47499       1.043255      43.06795       0.8954785 
1 1 1 8  13 13 o 13.39517       0.4706079     12.66160       0.7495359     13.87254       0.6046445 
1 1 1 8  13 14 o 7.998557       0.4495543     7.912643       0.7324950     8.050472       0.5694051 
1 1 1 8  13 15 o 2.364133       0.4226411     3.163098       0.6888351     1.881771       0.5352267 
1 1 1 8  13 16 o 7.260685       0.4594469     6.558173       0.7210565     7.740864       0.5961344 
1 1 1 8  13 17 o 13.29366       0.4988877     13.51557       0.7863812     13.14418       0.6453938 
1 1 1 8  13 18 o 21.60384       0.5454283     22.26882       0.8582842     21.15337       0.7064111 
1 1 1 8  13 19 o 20.88218       0.5619856     21.60745       0.8493779     20.31747       0.7494956 
1 1 1 8  13 20 o 8.879875       0.4843953     8.591162       0.7356601     9.100856       0.6436081 
1 1 1 8  13 21 f 9.892830       0.4445918     9.882266       0.6188788     9.904095       0.6391044 
1 1 1 8  13 22 o 8.938547       0.4650069     9.172848       0.6255010     8.649076       0.6952540 
1 1 1 8  13 23 o 1.955232       0.4139109     2.152820       0.5822268     1.753334       0.5885412 
1 1 1 8  13 24 o 3.765374       0.4271577     4.040344       0.6005129     3.483748       0.6077365 
1 1 1 8  13 25 o 6.642438       0.4551784     7.271374       0.6309397     5.959833       0.6573086 
1 1 1 8  13 26 o 3.514543       0.4846691     3.498744       0.6375193     3.536178       0.7460584 
1 1 1 8  13 27 o 1.588791       0.4437329     1.857921       0.6012936     1.266958       0.6575376 
1 1 1 8  13 28 o 0.3759035      0.4564283     0.8668499E-01  0.6258289     0.7045478      0.6671225 
1 1 1 8  13 29 f 0.5181364      0.4894439     0.4394646      0.6504431     0.6208290      0.7431378 
1 1 1 8  13 30 o 2.155272       0.5246779     1.949072       0.6962166     2.426313       0.7982097 
1 1 1 8  13 31 o 0.9302340      0.5186910     0.8275591      0.6859769     1.067308       0.7926015 
1 1 1 8  14 0  o 4.477864       0.5552787     4.477864       0.3926413     ?              ?         
1 1 1 8  14 1  o 5.230018       0.4135799     4.890664       0.6023506     5.532691       0.5688653 
1 1 1 8  14 2  o 32.82758       0.5640907     33.72711       0.8304060     32.05684       0.7686571 
1 1 1 8  14 3  o 19.34334       0.4721777     19.17867       0.6946695     19.48475       0.6437536 
1 1 1 8  14 4  o 41.82950       0.6349450     43.35479       0.9403735     40.55146       0.8607905 
1 1 1 8  14 5  o 112.8618       1.228388      114.8314       1.798630      111.1399       1.681669  
1 1 1 8  14 6  o 121.1007       1.307942      121.4396       1.908805      120.8007       1.795784  
1 1 1 8  14 7  o 134.1898       1.422954      133.5832       2.068286      134.7351       1.960740  
1 1 1 8  14 8  o 61.36978       0.8041015     62.31324       1.178717      60.54853       1.099730  
1 1 1 8  14 9  o 10.84012       0.4731117     11.12185       0.6599902     10.54231       0.6785581 
1 1 1 8  14 10 o 9.408289       0.4489987     10.14538       0.6756898     8.825459       0.6008402 
1 1 1 8  14 11 o 19.76380       0.5261104     19.98693       0.8174245     19.60600       0.6874155 
1 1 1 8  14 12 o 24.63158       0.5633851     24.13551       0.8820114     24.97346       0.7322261 
1 1 1 8  14 13 o 5.154094       0.4653619     4.901435       0.7382573     5.320677       0.5994541 
1 1 1 8  14 14 o 5.555675       0.4673536     5.412827       0.7404486     5.650268       0.6025397 
1 1 1 8  14 15 f 16.98132       0.5275904     16.99240       0.8262906     16.97370       0.6855224 
1 1 1 8  14 16 o 9.421895       0.4738620     9.514050       0.7496052     9.360557       0.6115556 
1 1 1 8  14 17 f 8.154492       0.4669098     8.556621       0.7508534     7.900958       0.5961983 
1 1 1 8  14 18 o 1.969055       0.4325076     2.745993       0.6803582     1.442139       0.5602928 
1 1 1 8  14 19 o 8.308293       0.4462045     8.293242       0.7246084     8.317487       0.5663121 
1 1 1 8  14 20 f 19.70862       0.9504433     54.62010       2.552551      14.08922       1.024083  
1 1 1 8  14 21 o 7.347496       0.4832635     7.023295       0.7286571     7.602088       0.6457114 
1 1 1 8  14 22 o 9.289020       0.4531357     9.155822       0.6222501     9.439406       0.6611816 
1 1 1 8  14 23 o 3.784487       0.4401427     3.504520       0.6141549     4.080120       0.6311025 
1 1 1 8  14 24 o 1.468828       0.4334660     1.266209       0.5968264     1.695023       0.6305932 
1 1 1 8  14 25 o 0.2538668      0.4413157     -0.1928567     0.6160123     0.7248911      0.6325453 
1 1 1 8  14 26 o 0.3963748      0.4342332     -0.1194331     0.6030816     0.9516735      0.6257421 
1 1 1 8  14 27 o 0.6918541      0.4612698     1.376393       0.6250261     -0.1269159     0.6835655 
1 1 1 8  14 28 o -0.2466078     0.4743513     -0.1381598     0.6407601     -0.3781083     0.7055834 
1 1 1 8  14 29 o 0.9866310E-01  0.5047155     -0.3836805     0.6850096     0.6714877      0.7464990 
1 1 1 8  14 30 f 0.2325383      0.4933922     -0.1971736     0.6588562     0.7812098      0.7444887 
1 1 1 8  14 31 o 0.7607254      0.5258154     0.7912610      0.7167451     0.7251391      0.7737533 
1 1 1 8  15 0  o 60.19059       1.165170      60.19059       0.8238994     ?              ?         
1 1 1 8  15 1  o 2.153821       0.4123271     2.140859       0.6083383     2.164836       0.5607958 
1 1 1 8  15 2  o 22.90443       0.5234967     24.03495       0.7817813     21.98545       0.7048529 
1 1 1 8  15 3  o 43.27158       0.6629958     43.61206       0.9792891     42.98346       0.9008501 
1 1 1 8  15 4  o 114.3870       1.258393      114.4886       1.832677      114.2964       1.730949  
1 1 1 8  15 5  o 124.4626       1.345611      124.5736       1.957962      124.3632       1.852386  
1 1 1 8  15 6  o 210.8010       2.119104      208.9190       3.075741      212.5015       2.923762  
1 1 1 8  15 7  o 174.0780       1.789002      169.1310       2.577329      178.6778       2.485243  
1 1 1 8  15 8  o 51.49683       0.7483977     49.55771       1.080748      53.28341       1.037372  
1 1 1 8  15 9  o 32.32310       0.6407081     31.00829       0.8897723     33.73905       0.9233569 
1 1 1 8  15 10 f 6.499723       0.4699613     6.714946       0.7031758     6.325980       0.6317916 
1 1 1 8  15 11 o 8.491675       0.4794240     8.079965       0.7126719     8.832006       0.6479552 
1 1 1 8  15 12 f 16.47163       0.5357123     16.50499       0.8301599     16.44782       0.7012684 
1 1 1 8  15 13 o 15.03487       0.5288350     15.74229       0.8225642     14.53646       0.6904379 
1 1 1 8  15 14 o 15.19846       0.5240366     15.56845       0.8168198     14.93965       0.6831621 
1 1 1 8  15 15 o 5.743616       0.4846671     5.823947       0.7520628     5.686555       0.6338449 
1 1 1 8  15 16 o 2.821139       0.4525147     2.623986       0.7254539     2.946705       0.5789522 
1 1 1 8  15 17 o 0.5716157      0.4491079     -0.1417436E-01 0.7137294     0.9555874      0.5778461 
1 1 1 8  15 18 o 2.390296       0.4311069     1.806281       0.7063037     2.737058       0.5442470 
1 1 1 8  15 19 o 6.013771       0.4459488     5.573503       0.7219246     6.285427       0.5670788 
1 1 1 8  15 20 o 1.222760       0.4480882     1.475264       0.6930166     1.041362       0.5873876 
1 1 1 8  15 21 o 1.556368       0.4512268     1.964851       0.7085875     1.277735       0.5852252 
1 1 1 8  15 22 o 0.2920641      0.4612921     0.1686059      0.6927620     0.3904088      0.6183007 
1 1 1 8  15 23 o 1.767625       0.4364786     1.546655       0.6025147     2.011655       0.6331736 
1 1 1 8  15 24 o 0.1705355      0.4411266     0.4538379      0.6150678     -0.1295400     0.6330137 
1 1 1 8  15 25 o 0.4358889      0.4394637     0.5238708      0.6226771     0.3485717      0.6203207 
1 1 1 8  15 26 o 1.401319       0.4700272     1.003140       0.6573368     1.817901       0.6723552 
1 1 1 8  15 27 o 0.7815428      0.4817742     1.071549       0.6729198     0.4765685      0.6900671 
1 1 1 8  15 28 f 0.8683292      0.4945768     1.116834       0.6811273     0.5911842      0.7193078 
1 1 1 8  15 29 o 0.4466229      0.4984897     -0.1000176     0.6849752     1.062103       0.7268267 
1 1 1 8  15 30 o 1.522392       0.5220577     0.9484359      0.7172232     2.169151       0.7613537 
1 1 1 8  16 0  o 18.87364       0.7777723     18.87364       0.5499681     ?              ?         
1 1 1 8  16 1  o 40.22743       0.6877238     40.10424       0.9815983     40.34620       0.9638221 
1 1 1 8  16 2  o 27.46706       0.5646707     26.35946       0.8363498     28.39491       0.7654781 
1 1 1 8  16 3  o 48.09318       0.7210594     47.64758       1.057317      48.48060       0.9858896 
1 1 1 8  16 4  o 39.04836       0.6583579     38.89793       0.9613384     39.18121       0.9034709 
1 1 1 8  16 5  o 7.189805       0.4738209     7.184168       0.7039038     7.194474       0.6407129 
1 1 1 8  16 6  f 1.278238       0.4504083     1.980295       0.6580740     0.6595214      0.6177807 
1 1 1 8  16 7  o 14.54226       0.5224068     15.02470       0.7567591     14.10306       0.7220520 
1 1 1 8  16 8  o 12.81816       0.5197767     12.95902       0.7535988     12.69035       0.7178537 
1 1 1 8  16 9  o 5.552686       0.5013788     5.924117       0.6873800     5.130407       0.7329226 
1 1 1 8  16 10 f 7.198660       0.5010033     8.075457       0.7376964     6.448026       0.6825625 
1 1 1 8  16 11 o 0.9753799      0.4790363     0.7163443      0.6957639     1.208843       0.6605279 
1 1 1 8  16 12 o 1.818105       0.4751101     1.683010       0.6948407     1.936727       0.6511041 
1 1 1 8  16 13 o 18.31464       0.5565099     18.27432       0.8568973     18.34404       0.7318586 
1 1 1 8  16 14 o 8.742947       0.5047590     8.372284       0.7878134     9.001066       0.6574233 
1 1 1 8  16 15 o 4.279202       0.4740150     2.985245       0.7490191     5.143625       0.6122040 
1 1 1 8  16 16 o 0.9631960      0.4437628     1.375519       0.7190784     0.7095732      0.5639642 
1 1 1 8  16 17 o 0.5471588      0.4405966     0.5278217      0.7176557     0.5588564      0.5581738 
1 1 1 8  16 18 o 1.176522       0.4368877     1.632725       0.7093139     0.8976610      0.5545660 
1 1 1 8  16 19 f 10.04322       0.4838670     10.02235       0.7666769     10.05703       0.6237946 
1 1 1 8  16 20 o 11.08652       0.4823161     11.42004       0.7724348     10.87338       0.6174858 
1 1 1 8  16 21 o 13.95359       0.5476531     13.93889       0.8284875     13.96500       0.7298522 
1 1 1 8  16 22 o 4.047152       0.4884425     3.253139       0.7475339     4.638702       0.6452273 
1 1 1 8  16 23 f 0.6556495      0.4806273     1.312787       0.7512974     0.2004007      0.6253283 
1 1 1 8  16 24 o 1.630869       0.4869319     1.632941       0.7570367     1.629407       0.6359373 
1 1 1 8  16 25 o 1.655116       0.4516509     1.725644       0.6334369     1.582179       0.6441599 
1 1 1 8  16 26 f 1.627155       0.4673523     1.129570       0.6446542     2.178389       0.6785172 
1 1 1 8  16 27 o 0.2335270      0.4831608     0.7526047E-01  0.6893631     0.3863390      0.6773797 
1 1 1 8  16 28 o -0.7766107     0.4966378     0.2177304E-01  0.7012022     -1.580252      0.7035072 
1 1 1 8  16 29 o -0.3703975     0.4979144     0.8736762E-01  0.6910805     -0.8645279     0.7180059 
1 1 1 8  17 0  o 7.918268       0.7434474     7.918268       0.5256967     ?              ?         
1 1 1 8  17 1  o 21.04261       0.5842834     21.31923       0.8123554     20.74615       0.8409913 
1 1 1 8  17 2  o 60.62646       0.8341622     61.59515       1.229089      59.79925       1.135794  
1 1 1 8  17 3  o 48.45509       0.7417638     49.92722       1.102638      47.23817       1.002520  
1 1 1 8  17 4  o 39.04206       0.6697829     40.15255       0.9944456     38.12006       0.9061338 
1 1 1 8  17 5  o 30.73947       0.6275656     31.38509       0.9147338     30.16536       0.8625838 
1 1 1 8  17 6  f 31.23365       0.6249963     30.02685       0.8922199     32.39635       0.8757663 
1 1 1 8  17 7  o 27.33292       0.6220971     25.93775       0.8870754     28.68312       0.8726581 
1 1 1 8  17 8  o 14.42104       0.5977362     13.53672       0.8642017     15.23211       0.8276367 
1 1 1 8  17 9  o 7.317084       0.5413883     6.681724       0.7389847     8.053159       0.7954017 
1 1 1 8  17 10 o 29.62945       0.6296740     29.51915       0.9012821     29.73462       0.8800833 
1 1 1 8  17 11 o 39.33424       0.6922663     38.17386       0.9980865     40.40997       0.9609917 
1 1 1 8  17 12 o 17.74719       0.5478388     17.65588       0.7950240     17.82974       0.7559724 
1 1 1 8  17 13 f 1.411226       0.4667344     1.150312       0.6939968     1.626691       0.6306635 
1 1 1 8  17 14 o 23.08531       0.5972196     22.19914       0.9145682     23.74412       0.7885630 
1 1 1 8  17 15 o 21.67924       0.5808758     21.81077       0.8912286     21.58209       0.7659056 
1 1 1 8  17 17 o 0.1919502E-01  0.4424614     -1.201985      0.7070193     0.8053497      0.5672773 
1 1 1 8  17 18 f 4.826166       0.4542926     5.084071       0.7409616     4.670824       0.5750569 
1 1 1 8  17 19 o 3.381005       0.4657492     3.257722       0.7415407     3.461323       0.5985368 
1 1 1 8  17 20 o 9.224182       0.4878220     8.285312       0.7891146     9.804908       0.6206154 
1 1 1 8  17 21 o 2.908759       0.4536017     1.668688       0.7432510     3.644768       0.5726030 
1 1 1 8  17 22 o -0.4175147     0.4954974     -0.1725318     0.7736427     -0.5879020     0.6451953 
1 1 1 8  17 23 o 1.810866       0.4979594     2.329559       0.7952128     1.476275       0.6386836 
1 1 1 8  17 24 f 1.911973       0.5076603     1.796482       0.7966797     1.990927       0.6587157 
1 1 1 8  17 25 o 1.662417       0.5295024     2.226400       0.8211980     1.261077       0.6927417 
1 1 1 8  17 26 o -0.3186751     0.4808112     0.2003229      0.6760567     -0.8498651     0.6839514 
1 1 1 8  17 27 o -0.1866163     0.5019197     -0.4164459     0.7036055     0.5151853E-01  0.7162056 
1 1 1 8  17 28 o 0.1584346      0.5041865     -0.6687027     0.6967590     1.067599       0.7304912 
1 1 1 8  17 29 o 0.2154301      0.7024179     -0.2692876     0.9533916     0.7909250      1.038837  
1 1 1 8  18 0  o 1.838573       0.7202771     1.838573       0.5093128     ?              ?         
1 1 1 8  18 1  o 13.76468       0.5700788     13.44397       0.8145449     14.07259       0.7981321 
1 1 1 8  18 2  o 15.89856       0.5700532     16.29787       0.8134580     15.51324       0.7990880 
1 1 1 8  18 3  o 9.330404       0.5116423     10.07348       0.7537151     8.695355       0.6967775 
1 1 1 8  18 4  o -0.2219936     0.4921882     -1.011338      0.7173637     0.4800818      0.6765468 
1 1 1 8  18 5  o 9.885033       0.5261556     9.384835       0.7650810     10.33388       0.7247488 
1 1 1 8  18 6  o 30.67701       0.6375785     30.23825       0.9229082     31.07759       0.8818377 
1 1 1 8  18 7  o 6.601108       0.5166634     6.573211       0.7409088     6.627515       0.7208488 
1 1 1 8  18 8  o 2.309496       0.4912801     2.355427       0.6868922     2.261395       0.7029354 
1 1 1 8  18 9  o 3.520823       0.5307261     3.483735       0.7233215     3.564075       0.7811275 
1 1 1 8  18 10 o 26.41349       0.6046908     26.03502       0.8701795     26.76692       0.8408962 
1 1 1 8  18 11 o 14.86400       0.5395423     15.33698       0.7910337     14.45254       0.7378008 
1 1 1 8  18 12 o 2.132743       0.4840049     1.772804       0.7021351     2.458637       0.6681049 
1 1 1 8  18 13 f 5.444312       0.4644138     5.947380       0.6963418     5.041276       0.6232762 
1 1 1 8  18 14 o 0.6815225      0.4440667     0.9005948      0.6591808     0.4994929      0.6008718 
1 1 1 8  18 15 o 0.1139984E-01  0.4659897     -0.4050888     0.7282001     0.3002234      0.6064088 
1 1 1 8  18 16 o 1.395184       0.4653129     0.9602464      0.7439528     1.674664       0.5963593 
1 1 1 8  18 17 f 0.3323764      0.4463269     0.3569593      0.7292228     0.3176509      0.5643901 
1 1 1 8  18 18 f 0.5038986      0.4508949     0.6794974      0.7407336     0.4005332      0.5683144 
1 1 1 8  18 19 o 0.6567311      0.4542707     0.2492771      0.7378951     0.9054036      0.5764600 
1 1 1 8  18 20 o 3.149515       0.4722598     3.962188       0.7718182     2.663165       0.5970784 
1 1 1 8  18 21 o 2.377598       0.4701495     2.110491       0.7698280     2.536484       0.5937381 
1 1 1 8  18 22 o 1.887650       0.4818458     2.269309       0.7809539     1.653050       0.6122829 
1 1 1 8  18 23 o 3.200486       0.5307439     3.479582       0.8236673     3.002325       0.6940401 
1 1 1 8  18 24 o 1.009874       0.5370585     1.598211       0.8029449     0.5335886      0.7224476 
1 1 1 8  18 25 f 0.7917750      0.5276212     0.5823276      0.8161481     0.9421613      0.6915692 
1 1 1 8  18 26 o 0.2869704      0.5691049     0.7687946      0.8735020     -0.6840267E-01 0.7501738 
1 1 1 8  18 27 o -0.2213879     0.5511742     1.332060       0.8647329     -1.284357      0.7153095 
1 1 1 8  18 28 o 0.6101937      0.5273882     -0.1596193     0.7292314     1.454360       0.7636366 
1 1 1 8  19 0  o 8.446934       0.7984947     8.446934       0.5646210     ?              ?         
1 1 1 8  19 1  o 14.30600       0.5746035     15.29936       0.8247686     13.36913       0.8009778 
1 1 1 8  19 2  o 9.425900       0.5488010     9.655526       0.7619767     9.178394       0.7910852 
1 1 1 8  19 3  o 4.520968       0.5379410     4.522491       0.7542776     4.519390       0.7674197 
1 1 1 8  19 4  o 11.08337       0.5399114     11.26281       0.7690846     10.90901       0.7581334 
1 1 1 8  19 5  f 5.753938       0.5151036     6.723881       0.7460690     4.870424       0.7120538 
1 1 1 8  19 6  f 9.346505       0.5257028     8.608156       0.7529722     10.04867       0.7342917 
1 1 1 8  19 7  o 12.99768       0.5355105     13.13621       0.7506588     12.85411       0.7641745 
1 1 1 8  19 8  o 21.42196       0.5936924     21.09930       0.8521602     21.72627       0.8275943 
1 1 1 8  19 9  f 5.743043       0.5397688     6.156392       0.7250723     5.229222       0.8084057 
1 1 1 8  19 10 o 1.635811       0.4732479     1.943550       0.6869150     1.357774       0.6529250 
1 1 1 8  19 11 f 2.378457       0.4760551     2.565426       0.6999923     2.217566       0.6493441 
1 1 1 8  19 12 o 1.466347       0.4828905     1.653372       0.7252353     1.317394       0.6472241 
1 1 1 8  19 13 o 0.2158510      0.4612814     0.7156111E-01  0.6996608     0.3267910      0.6134989 
1 1 1 8  19 14 o 1.045328       0.4551239     1.393787       0.6964150     0.7855571      0.6012954 
1 1 1 8  19 15 o 0.1829676      0.4715299     0.4574561E-01  0.7292010     0.2815798      0.6181598 
1 1 1 8  19 16 o 1.754144       0.4674989     0.7890742      0.7416605     2.390396       0.6021999 
1 1 1 8  19 17 o 0.1388135      0.4633327     -0.2033145E-01 0.7462640     0.2386426      0.5910506 
1 1 1 8  19 18 o 1.613087       0.4748425     2.299395       0.7700807     1.192067       0.6031540 
1 1 1 8  19 19 o 0.7536236      0.4680106     0.8666649      0.7746416     0.6886432      0.5873185 
1 1 1 8  19 20 o 3.752473       0.4978408     4.004441       0.8105373     3.599833       0.6308634 
1 1 1 8  19 21 o 4.492386       0.5028023     4.190095       0.8037465     4.686747       0.6444815 
1 1 1 8  19 22 o 4.125322       0.5093049     5.106050       0.8108416     3.486262       0.6545349 
1 1 1 8  19 23 o 1.738456       0.5451084     0.4938339      0.8451853     2.624927       0.7132887 
1 1 1 8  19 24 o 1.213371       0.5457010     1.521459       0.8536138     1.000439       0.7096508 
1 1 1 8  19 25 o 0.6346846E-01  0.5514470     -0.4694360     0.8572942     0.4395840      0.7202212 
1 1 1 8  19 26 o 0.4405386      0.5577307     -0.4080842     0.8563302     1.065721       0.7349999 
1 1 1 8  19 27 o -0.3769677     0.5514341     0.4529594      0.8817444     -0.9100627     0.7066837 
1 1 1 8  20 0  o 70.26839       1.386699      70.26839       0.9805441     ?              ?         
1 1 1 8  20 1  o 30.47311       0.6725880     31.12749       0.9413906     29.79078       0.9612877 
1 1 1 8  20 2  o 25.77273       0.6473139     23.98200       0.9038697     27.65817       0.9274665 
1 1 1 8  20 3  f 21.13582       0.6180845     20.94485       0.8588309     21.34101       0.8902209 
1 1 1 8  20 4  o 24.83691       0.6315040     25.16529       0.8740278     24.47826       0.9134383 
1 1 1 8  20 5  o 25.66340       0.6131452     26.30528       0.8841303     25.06865       0.8510520 
1 1 1 8  20 6  o 20.43446       0.5960170     20.25789       0.8516998     20.60392       0.8343584 
1 1 1 8  20 7  o 19.18276       0.5910374     18.87098       0.8422395     19.48525       0.8296098 
1 1 1 8  20 8  o 1.363013       0.5118328     1.524171       0.7267993     1.204453       0.7209184 
1 1 1 8  20 9  o 0.8807545E-01  0.5013814     0.1440508      0.6749737     0.1916829E-01  0.7488945 
1 1 1 8  20 10 f 2.139392       0.4759288     2.024213       0.6848976     2.246941       0.6618252 
1 1 1 8  20 11 o 0.9065022      0.4761745     1.211469       0.7094857     0.6565318      0.6423355 
1 1 1 8  20 12 o -0.1447316     0.4783117     0.1708064      0.7081395     -0.4094727     0.6486397 
1 1 1 8  20 13 o -0.1830270     0.4748025     0.3950350      0.7113202     -0.6475499     0.6376487 
1 1 1 8  20 14 o 1.816754       0.4579278     2.571023       0.7036521     1.262610       0.6031237 
1 1 1 8  20 15 o 0.8970356      0.4598446     1.475877       0.6831176     0.4173976      0.6218314 
1 1 1 8  20 16 o 1.083132       0.4566875     1.292836       0.7511369     0.9601538      0.5752160 
1 1 1 8  20 17 o 1.200040       0.4743112     1.859015       0.7603038     0.7801750      0.6068863 
1 1 1 8  20 18 o 2.216813       0.4791243     2.376426       0.7792433     2.119793       0.6075342 
1 1 1 8  20 19 o 0.9246801      0.4830071     1.344775       0.7879686     0.6718248      0.6113238 
1 1 1 8  20 20 o 0.8698328      0.4984161     0.4862514      0.8100532     1.103517       0.6322652 
1 1 1 8  20 21 o 0.6142361      0.4991272     -0.4090435     0.8062232     1.250175       0.6355737 
1 1 1 8  20 22 o 0.9916008      0.5117823     1.272889       0.8298350     0.8189397      0.6501495 
1 1 1 8  20 23 o -0.2093393     0.5297186     -1.441321      0.8500046     0.5729452      0.6773319 
1 1 1 8  20 24 o -0.5556583     0.5693204     -0.4954979     0.8968408     -0.5962656     0.7368213 
1 1 1 8  20 25 o 0.8223739      0.5663753     0.8464063      0.8634826     0.8042271      0.7503344 
1 1 1 8  20 26 o 0.9733696E-01  0.6476693     0.3237616      1.095209      -0.2443074E-01 0.8031582 
1 1 1 8  21 0  o 98.29187       1.721368      98.29187       1.217191      ?              ?         
1 1 1 8  21 1  o 54.19992       0.8485444     54.63682       1.197813      53.75977       1.202246  
1 1 1 8  21 2  o 13.89222       0.5682008     14.29338       0.7977809     13.47923       0.8094611 
1 1 1 8  21 3  o 14.50638       0.5817383     14.80533       0.8012522     14.17312       0.8459724 
1 1 1 8  21 4  o 32.84960       0.6874325     31.91431       0.9479291     33.88712       0.9983849 
1 1 1 8  21 5  o 39.63665       0.7470182     39.15061       1.037892      40.15905       1.076026  
1 1 1 8  21 6  o 35.04888       0.6874197     35.33579       0.9900337     34.78180       0.9552174 
1 1 1 8  21 7  o 13.25320       0.5450752     13.66446       0.7674164     12.83449       0.7743357 
1 1 1 8  21 8  o 2.116535       0.4944296     2.549717       0.7143717     1.718229       0.6850103 
1 1 1 8  21 9  o -1.045051      0.4961029     -1.049276      0.7111873     -1.041048      0.6923816 
1 1 1 8  21 10 f -0.7766154     0.4799016     -1.519907      0.7049044     -0.1344774     0.6551863 
1 1 1 8  21 11 o 2.365817       0.4911419     2.659904       0.7360683     2.129805       0.6593982 
1 1 1 8  21 12 o 5.594031       0.4908357     5.483412       0.7415567     5.680282       0.6548030 
1 1 1 8  21 13 o 7.492983       0.5089149     7.423607       0.7596146     7.549483       0.6855062 
1 1 1 8  21 14 o 8.931440       0.5154948     8.236161       0.7644717     9.511203       0.6980827 
1 1 1 8  21 15 f 7.727982       0.5105662     8.847651       0.7733513     6.862902       0.6797670 
1 1 1 8  21 16 o 4.499493       0.5018229     4.526501       0.7468979     4.477270       0.6775315 
1 1 1 8  21 17 o 0.7056925      0.4839963     0.9074647      0.8030832     0.5906041      0.6065205 
1 1 1 8  21 18 o 0.2207807      0.5053578     1.370930       0.8234234     -0.4742144     0.6400841 
1 1 1 8  21 19 o -0.7204930     0.5036389     -0.1305553     0.8172036     -1.081792      0.6395293 
1 1 1 8  21 20 f 0.6372995      0.5223573     1.192305       0.8561100     0.3081360      0.6593055 
1 1 1 8  21 21 o 1.102551       0.5195990     1.049270       0.8607460     1.133098       0.6517464 
1 1 1 8  21 22 o 0.3008434      0.5349189     0.6149394      0.8854700     0.1203425      0.6712472 
1 1 1 8  21 23 o 2.027651       0.5678123     2.391627       0.8800874     1.768109       0.7431777 
1 1 1 8  21 24 o 1.021892       0.5805470     1.631621       0.9041565     0.5941812      0.7572694 
1 1 1 8  22 0  f 4.029716       0.7492630     4.029716       0.5298090     ?              ?         
1 1 1 8  22 1  f 13.59498       0.5721568     12.77293       0.8083497     14.42031       0.8099567 
1 1 1 8  22 2  o 19.82646       0.6049254     19.13778       0.8565089     20.51189       0.8544821 
1 1 1 8  22 3  f 27.11337       0.6592377     27.54658       0.9197292     26.65562       0.9454068 
1 1 1 8  22 4  o 16.95972       0.6007572     16.72851       0.8295440     17.21472       0.8711827 
1 1 1 8  22 5  o 13.52128       0.5889374     13.19301       0.8121213     13.88539       0.8553235 
1 1 1 8  22 6  o 7.888427       0.5528026     7.507612       0.7592079     8.318157       0.8064952 
1 1 1 8  22 7  o 8.525411       0.5227680     8.579392       0.7349744     8.470138       0.7437142 
1 1 1 8  22 8  o 6.412199       0.5179680     5.842989       0.7179073     7.030224       0.7480573 
1 1 1 8  22 9  o 12.69971       0.5087746     12.14639       0.7681695     13.13211       0.6790720 
1 1 1 8  22 10 o 3.635142       0.4972560     3.242452       0.7170150     3.999014       0.6902036 
1 1 1 8  22 11 o 1.819211       0.4912372     2.415882       0.7067357     1.261479       0.6832861 
1 1 1 8  22 12 o 0.1348178E-01  0.4731945     0.6997554      0.7075552     -0.5418262     0.6364710 
1 1 1 8  22 13 o 1.048442       0.6337742     32.79061       2.646197      -0.8831536     0.6527728 
1 1 1 8  22 14 o 1.898434       0.4832624     1.258744       0.7424235     2.368747       0.6365905 
1 1 1 8  22 15 o 3.522086       0.5015945     3.360364       0.7713267     3.640592       0.6602736 
1 1 1 8  22 16 o 3.548307       0.4909230     3.633969       0.7471650     3.483232       0.6512218 
1 1 1 8  22 17 o 1.679339       0.5135819     1.926754       0.8270434     1.524045       0.6552276 
1 1 1 8  22 18 o 1.395913       0.5262597     1.491128       0.8528864     1.337374       0.6687446 
1 1 1 8  22 19 o 0.5610093      0.5257646     1.427276       0.8492482     0.2264606E-01  0.6694937 
1 1 1 8  22 20 o 0.2227947      0.5408383     0.3007272      0.8837833     0.1761364      0.6838348 
1 1 1 8  22 21 o 0.2274770      0.5435734     1.027961       0.8834924     -0.2601071     0.6895270 
1 1 1 8  22 22 o 1.498689       0.5570081     1.469024       0.8928229     1.517593       0.7127189 
1 1 1 8  22 23 o 0.1955484      0.5453104     0.1943650      0.8759969     0.1962972      0.6967776 
1 1 1 8  23 0  o 2.340024       0.7708460     2.340024       0.5450705     ?              ?         
1 1 1 8  23 1  o 2.550513       0.5355153     2.361764       0.7572862     2.739308       0.7573798 
1 1 1 8  23 2  o 0.8581868      0.5220588     1.323309       0.7375102     0.3910602      0.7390976 
1 1 1 8  23 3  o 1.674746       0.5278999     2.191004       0.7446527     1.153157       0.7484883 
1 1 1 8  23 4  f 2.031940       0.5297904     2.315714       0.7338313     1.723020       0.7656550 
1 1 1 8  23 5  o 2.591376       0.5117956     2.851587       0.6899878     2.273101       0.7630984 
1 1 1 8  23 6  o 1.752406       0.5120609     1.778579       0.6913735     1.720604       0.7621102 
1 1 1 8  23 7  o 3.524776       0.5241511     3.437929       0.7071444     3.630671       0.7808470 
1 1 1 8  23 8  o 4.221518       0.5203702     4.825109       0.7577120     3.682709       0.7158964 
1 1 1 8  23 9  o 2.210285       0.4817150     1.712464       0.7462777     2.565859       0.6307081 
1 1 1 8  23 10 o 4.804336       0.5269973     5.781759       0.7911523     4.024729       0.7065726 
1 1 1 8  23 11 o 6.056217       0.5271791     5.798913       0.7902237     6.262573       0.7076757 
1 1 1 8  23 12 f 5.264467       0.5267297     5.235711       0.7827259     5.288267       0.7120909 
1 1 1 8  23 13 o 3.231563       0.5013392     3.182631       0.7770453     3.266457       0.6561817 
1 1 1 8  23 14 o 0.5596604      0.5172031     1.478990       0.7968593     -0.1095350     0.6798648 
1 1 1 8  23 15 f 0.5917008      0.5024956     -0.4623994E-01 0.7797838     1.044735       0.6571273 
1 1 1 8  23 16 o 0.4665228      0.5088149     0.4026311      0.7893049     0.5119517      0.6655620 
1 1 1 8  23 17 o 1.010147       0.5301364     0.8412696      0.7981624     1.143461       0.7091573 
1 1 1 8  23 18 o 1.284105       0.5505295     1.378928       0.8694959     1.220654       0.7112586 
1 1 1 8  23 19 o 2.682848       0.5603396     2.530143       0.9094858     2.776278       0.7113947 
1 1 1 8  23 20 o 0.4467099      0.5703692     0.3618347      0.9178529     0.5001037      0.7279944 
1 1 1 8  23 21 o -0.8637636     0.5496359     -0.1435244     0.9245797     -1.257404      0.6835273 
1 1 1 8  23 22 o -0.6623521     0.6259411     -1.163156      1.117052      -0.4331283     0.7557346 
1 1 1 8  24 0  o -0.8151052     0.7622333     -0.8151052     0.5389804     ?              ?         
1 1 1 8  24 1  o 0.1836052      0.5285174     -0.9787484E-01 0.7459664     0.4673151      0.7489153 
1 1 1 8  24 2  o 1.572284       0.5482325     1.765260       0.7604102     1.363398       0.7911381 
1 1 1 8  24 3  o 2.148670       0.5537893     2.170777       0.7679375     2.124718       0.7993600 
1 1 1 8  24 4  o 0.9219484      0.5636311     0.3076259      0.7829292     1.582833       0.8120582 
1 1 1 8  24 5  o 2.125435       0.5585701     2.818544       0.7835232     1.409157       0.7965119 
1 1 1 8  24 6  o 8.125299       0.5980564     8.369212       0.8488165     7.884846       0.8427747 
1 1 1 8  24 7  o 3.637730       0.5421617     3.688032       0.7375283     3.578589       0.7997053 
1 1 1 8  24 8  o 0.1428515      0.5469208     0.3264926E-01  0.7374046     0.2775944      0.8153868 
1 1 1 8  24 9  o -0.5836402     0.4919751     -0.9236501     0.7873214     -0.3658314     0.6301499 
1 1 1 8  24 10 o 0.4599890      0.5174716     0.6049638      0.7940901     0.3529860      0.6822151 
1 1 1 8  24 11 o 0.5551051      0.5129275     0.4687791      0.7909971     0.6177444      0.6737952 
1 1 1 8  24 12 f -0.1292345     0.5361075     0.5327804      0.8161159     -0.6317533     0.7110401 
1 1 1 8  24 13 o 0.3907601      0.5185311     1.545985       0.8110317     -0.4079340     0.6743647 
1 1 1 8  24 14 o 0.8509615      0.5246450     0.5801998      0.7888660     1.065704       0.7025355 
1 1 1 8  24 15 o 0.6478350      0.5242634     0.8152025      0.8025397     0.5232437      0.6924282 
1 1 1 8  24 16 f 3.523073       0.5593647     3.860427       0.8358590     3.249454       0.7527714 
1 1 1 8  24 17 o 4.671426       0.5690320     4.782228       0.8880369     4.594239       0.7411891 
1 1 1 8  24 18 f 3.276330       0.5788159     2.975633       0.9023952     3.486521       0.7544638 
1 1 1 8  24 19 o 2.494448       0.5739693     3.712316       0.9687833     1.835747       0.7124771 
1 1 1 8  24 20 o 2.896748       0.5891496     2.187306       0.9378699     3.359178       0.7571942 
1 1 1 8  25 0  o 1.939309       0.9917682     1.939309       0.7012861     ?              ?         
1 1 1 8  25 1  o 3.378139       0.5615905     2.191064       0.7836032     4.631728       0.8052573 
1 1 1 8  25 2  o 1.426185       0.5631053     1.912328       0.7969372     0.9414694      0.7957665 
1 1 1 8  25 3  o 3.488657       0.5841777     3.639175       0.8085752     3.324300       0.8449274 
1 1 1 8  25 4  f 11.56352       0.6073409     11.56960       0.8324316     11.55660       0.8880868 
1 1 1 8  25 5  o 17.71028       0.6613389     17.55652       0.9203519     17.87443       0.9509473 
1 1 1 8  25 6  o 11.88453       0.6268975     11.75762       0.8706938     12.02113       0.9033412 
1 1 1 8  25 7  o 10.23701       0.6244656     10.31409       0.8802031     10.15891       0.8860817 
1 1 1 8  25 8  o 7.303427       0.5883486     7.408814       0.8037062     7.181741       0.8636222 
1 1 1 8  25 9  o 6.737044       0.5555940     7.149651       0.8378045     6.413151       0.7422941 
1 1 1 8  25 10 o 1.942764       0.5170484     1.498584       0.8351749     2.218805       0.6583920 
1 1 1 8  25 11 f 0.8888425      0.5351743     0.6202499      0.8217666     1.086657       0.7052303 
1 1 1 8  25 12 o 0.9939466      0.5384344     0.6185564      0.8174411     1.281630       0.7156029 
1 1 1 8  25 13 o -0.2019954E-01 0.5324360     0.5786703E-01  0.8124349     -0.7897052E-01 0.7049162 
1 1 1 8  25 14 o 0.5717263      0.5546666     0.4822061      0.8752195     0.6318137      0.7170483 
1 1 1 8  25 15 f 1.178363       0.5910692     0.8526293      0.9113965     1.414813       0.7765089 
1 1 1 8  25 16 o 4.712515       0.5833516     6.806254       0.9170855     3.289644       0.7560164 
1 1 1 8  25 17 o 1.313552       0.5900803     1.678006       0.8891761     1.026732       0.7888091 
1 1 1 8  25 18 o 1.458352       0.5880532     2.062864       0.8915541     0.9928396      0.7823679 
1 1 1 8  26 0  o 13.73663       0.8633887     13.73663       0.6105080     ?              ?         
1 1 1 8  26 1  o 9.053595       0.6168809     9.798613       0.8608364     8.267150       0.8844452 
1 1 1 8  26 2  o 0.8091202      0.5727706     0.6911883      0.8129401     0.9253726      0.8071309 
1 1 1 8  26 3  o 0.8651687      0.5899712     -0.2715370     0.7977693     2.237187       0.8764622 
1 1 1 8  26 4  o 1.852254       0.6020353     1.816363       0.8506495     1.888273       0.8521656 
1 1 1 8  26 5  o 4.737333       0.6231859     4.737403       0.8738168     4.737259       0.8890157 
1 1 1 8  26 6  f 5.193679       0.6209596     5.540358       0.8587788     4.813820       0.8989360 
1 1 1 8  26 7  o 3.828158       0.6118124     3.212048       0.8568535     4.468973       0.8738638 
1 1 1 8  26 8  o 3.752044       0.5900233     3.147411       0.9136181     4.184642       0.7727892 
1 1 1 8  26 9  o 1.329146       0.5569491     1.361137       0.8191682     1.301645       0.7595018 
1 1 1 8  26 10 o 0.1646194      0.5645162     0.3128400E-01  0.8663201     0.2630168      0.7442132 
1 1 1 8  26 11 o 2.109306       0.5985172     1.889351       0.8730648     2.304328       0.8220950 
1 1 1 8  26 12 o 0.4509659      0.5724314     1.315533       0.8661864     -0.2194043     0.7627277 
1 1 1 8  26 13 o -0.2391824     0.5652416     0.4391004      0.8636595     -0.7474029     0.7475896 
1 1 1 8  26 14 o 0.3618823      0.5811332     0.6163681      0.9068615     0.1845622      0.7569866 
1 1 1 8  26 15 o 0.9625758      0.5898703     0.2504583      0.9037429     1.491110       0.7785842 
1 1 1 8  26 16 o 0.5761128E-01  0.6074569     0.2198264      0.9175199     -0.6898152E-01 0.8105398 
1 1 1 8  27 0  o -0.4879694     0.8129945     -0.4879694     0.5748739     ?              ?         
1 1 1 8  27 1  o 1.238291       0.6197044     1.986267       0.8698329     0.4673138      0.8831064 
1 1 1 8  27 2  o 2.946836       0.6230363     4.018830       0.8736421     1.837408       0.8887655 
1 1 1 8  27 3  o 1.743664       0.6329095     1.598908       0.8890898     1.892380       0.9011709 
1 1 1 8  27 4  o 0.7407808      0.6368627     1.063326       0.8794813     0.3851821      0.9234461 
1 1 1 8  27 5  o 0.1021526      0.6121069     0.1260330      0.8403432     0.7516211E-01  0.8933898 
1 1 1 8  27 6  f 0.1688152      0.6376613     0.4153028      0.8958865     -0.8427729E-01 0.9078102 
1 1 1 8  27 7  o 0.8619283      0.6305119     0.4463156      0.8648648     1.333399       0.9211513 
1 1 1 8  27 8  o 0.3553295      0.5895369     0.4630284      0.8837715     0.2689828      0.7913294 
1 1 1 8  27 9  o 0.7033743      0.5983214     1.709956       0.8983839     -0.9898748E-01 0.8020888 
1 1 1 8  27 10 o 0.1818185      0.5731974     1.193896       0.8469766     -0.6734059     0.7785825 
1 1 1 8  27 11 o 1.331382       0.6265014     1.361078       0.9202005     1.305723       0.8553618 
1 1 1 8  27 12 f 2.115249       0.6455363     1.720759       0.9094307     2.515862       0.9164622 
1 1 1 8  27 13 f 0.7280196      0.5980289     0.3405091      0.8821992     1.057493       0.8134581 
1 1 1 8  28 0  o -0.3807913     0.9042394     -0.3807913     0.6393938     ?              ?         
1 1 1 8  28 1  o 1.052616       0.6488451     1.226676       0.9104137     0.8729451      0.9249704 
1 1 1 8  28 2  o 0.6636935      0.6359968     0.8516272      0.8783067     0.4565219      0.9221658 
1 1 1 8  28 3  o 0.3166147      0.6290517     -0.4144187     0.8991498     1.017437       0.8803743 
1 1 1 8  28 4  o 0.6635211      0.6379228     0.8078829      0.8680043     0.4939691      0.9406912 
1 1 1 8  28 5  o 1.299490       0.6687116     1.723785       0.9304497     0.8461894      0.9617277 
1 1 1 8  28 6  o 0.4524272      0.6415951     1.070366       0.8821477     -0.2415503     0.9348490 
1 1 1 8  28 7  o 2.351854       0.6658204     1.754676       0.9204326     3.007344       0.9643245 
1 1 1 8  28 8  o 3.931442       0.6138418     3.745079       0.9524446     4.063849       0.8028146 
1 1 1 8  28 9  o 4.685404       0.6248301     3.350522       0.9743896     5.617666       0.8142917 
1 1 1 8  28 10 o 1.292804       0.6170555     1.885846       0.9562519     0.8696786      0.8077260 
1 1 1 8  29 0  o 5.659719       0.9620062     5.659719       0.6802411     ?              ?         
1 1 1 8  29 1  o 6.680581       0.6634686     7.014194       0.9501445     6.363117       0.9268613 
1 1 1 8  29 2  o 3.386870       0.6638344     3.604635       0.9357101     3.166202       0.9419279 
1 1 1 8  29 3  o 2.514127       0.6708961     1.727895       0.9235250     3.392694       0.9762495 
1 1 1 8  29 4  o 0.3923168      0.6731764     -0.2131037E-01 0.9331209     0.8412278      0.9721058 
1 1 1 9  0  0  o 0.3079163      0.3887695     0.3079163      0.2749016     ?              ?         
1 1 1 9  0  1  o 83.65531       1.297733      83.65531       0.9176357     ?              ?         
1 1 1 9  0  2  o 53.80946       0.8981186     53.80946       0.6350657     ?              ?         
1 1 1 9  0  3  f 36.46247       0.6772568     36.46247       0.4788929     ?              ?         
1 1 1 9  0  4  o 36.72866       0.6806510     36.72866       0.4812929     ?              ?         
1 1 1 9  0  5  o 460.0795       4.956881      460.0795       3.505044      ?              ?         
1 1 1 9  0  6  o 261.5245       3.060889      261.5245       2.164375      ?              ?         
1 1 1 9  0  7  o 547.7355       5.721920      547.7355       4.046009      ?              ?         
1 1 1 9  0  8  o 239.8756       2.847465      239.8756       2.013462      ?              ?         
1 1 1 9  0  9  o 1.073528       0.2113640     1.073528       0.1494569     ?              ?         
1 1 1 9  0  10 o 16.65427       0.3883764     16.65427       0.2746236     ?              ?         
1 1 1 9  0  11 o 191.8492       2.405543      191.8492       1.700976      ?              ?         
1 1 1 9  0  12 o 57.36021       0.9000914     57.36021       0.6364607     ?              ?         
1 1 1 9  0  13 o 14.69971       0.4249981     14.69971       0.3005190     ?              ?         
1 1 1 9  0  14 o 7.098752       0.3653746     7.098752       0.2583589     ?              ?         
1 1 1 9  0  15 o 45.86375       0.8632742     45.86375       0.6104271     ?              ?         
1 1 1 9  0  16 o 10.53494       0.4459926     10.53494       0.3153644     ?              ?         
1 1 1 9  0  17 o 0.5151778      0.3939496     0.5151778      0.2785644     ?              ?         
1 1 1 9  0  18 o 44.58472       1.053298      44.58472       0.7447943     ?              ?         
1 1 1 9  0  19 o 3.966606       0.4885885     3.966606       0.3454843     ?              ?         
1 1 1 9  0  20 o 26.12965       0.7278817     26.12965       0.5146901     ?              ?         
1 1 1 9  0  21 o 5.512855       0.5767583     5.512855       0.4078297     ?              ?         
1 1 1 9  0  22 o 13.92044       0.6726279     13.92044       0.4756197     ?              ?         
1 1 1 9  0  23 f 0.8293379      0.5730817     0.8293379      0.4052300     ?              ?         
1 1 1 9  0  24 o 0.4927524      0.5716512     0.4927524      0.4042185     ?              ?         
1 1 1 9  0  25 o 2.687308       0.5943965     2.687308       0.4203018     ?              ?         
1 1 1 9  0  26 o 1.249064       0.6159235     1.249064       0.4355237     ?              ?         
1 1 1 9  0  27 o 3.288779       0.6369938     3.288779       0.4504226     ?              ?         
1 1 1 9  0  28 o 1.185956       0.6362967     1.185956       0.4499297     ?              ?         
1 1 1 9  0  29 o 0.5611963      0.6585714     0.5611963      0.4656803     ?              ?         
1 1 1 9  0  30 o 0.4084049      0.6908684     0.4084049      0.4885177     ?              ?         
1 1 1 9  0  31 o -0.6821122     0.7104172     -0.6821122     0.5023408     ?              ?         
1 1 1 9  0  32 o 0.6190993      0.7448167     0.6190993      0.5266649     ?              ?         
1 1 1 9  0  33 o -0.5819708     0.7528654     -0.5819708     0.5323562     ?              ?         
1 1 1 9  0  34 f 0.1838370      0.7465367     0.1838370      0.5278812     ?              ?         
1 1 1 9  0  35 o 0.5419909      0.8022900     0.5419909      0.5673047     ?              ?         
1 1 1 9  1  0  o 7.689311       0.3355832     7.689311       0.2372932     ?              ?         
1 1 1 9  1  1  o 5.984605       0.2287199     4.786319       0.3180834     7.267458       0.3291162 
1 1 1 9  1  2  o 121.6407       1.242705      122.3764       1.767248      120.9211       1.747814  
1 1 1 9  1  3  o 17.24978       0.2985862     16.74821       0.4086225     17.82440       0.4373714 
1 1 1 9  1  4  o 23.79248       0.3513201     25.13482       0.4902711     22.37569       0.5036834 
1 1 1 9  1  5  o 73.10719       0.7895560     74.86959       1.087018      71.13896       1.148738  
1 1 1 9  1  6  o 121.3703       1.149978      124.8092       1.637400      118.0229       1.615450  
1 1 1 9  1  7  o 47.15723       0.5347419     48.26877       0.7639871     46.08966       0.7487224 
1 1 1 9  1  8  o 32.55690       0.4099967     32.28298       0.6264980     32.76209       0.5422333 
1 1 1 9  1  9  o 69.34532       0.7467517     71.33028       1.093405      67.61009       1.022309  
1 1 1 9  1  10 f 31.37929       0.4324554     30.42671       0.5990325     32.41611       0.6249596 
1 1 1 9  1  11 o 83.55788       0.8953326     86.03797       1.260754      81.03455       1.271700  
1 1 1 9  1  12 o 75.47749       0.8946106     73.01553       1.151078      79.23306       1.421683  
1 1 1 9  1  13 o 51.37297       0.6327464     50.92857       0.8226115     52.01686       0.9901865 
1 1 1 9  1  14 o 53.90511       0.6745182     52.45798       0.9425167     55.42441       0.9657323 
1 1 1 9  1  15 o 4.194875       0.2460571     4.141764       0.3409146     4.252628       0.3554978 
1 1 1 9  1  16 o 77.63238       0.9221476     76.53894       1.294774      78.75794       1.313658  
1 1 1 9  1  17 o 18.90943       0.3998398     18.66350       0.5636956     19.15846       0.5672389 
1 1 1 9  1  18 o 61.26811       0.7953179     62.36225       1.125753      60.17786       1.123748  
1 1 1 9  1  19 o 15.75706       0.4183148     15.83874       0.5825922     15.67014       0.6010104 
1 1 1 9  1  20 o 36.54363       0.6041202     35.77643       0.8442881     37.34855       0.8647907 
1 1 1 9  1  21 f 4.682354       0.4019705     4.136883       0.5614794     5.255871       0.5757329 
1 1 1 9  1  22 o 23.43078       0.5264027     23.39350       0.7370981     23.46959       0.7520178 
1 1 1 9  1  23 o 9.906911       0.4481713     10.47254       0.6145409     9.264324       0.6550130 
1 1 1 9  1  24 o 4.731445       0.4293754     5.161602       0.5935318     4.259157       0.6219195 
1 1 1 9  1  25 o 1.448466       0.4239926     2.655091       0.5868384     0.1307138      0.6132666 
1 1 1 9  1  26 o 2.766678       0.4264557     2.717843       0.5918221     2.819421       0.6150470 
1 1 1 9  1  27 o 0.3760104      0.4397196     0.7037267      0.6135338     0.2988656E-01  0.6305292 
1 1 1 9  1  28 o 0.3830034      0.4496206     0.3687970E-01  0.6335782     0.7341576      0.6381658 
1 1 1 9  1  29 o 3.704952       0.4780217     3.054921       0.6809471     4.336521       0.6712077 
1 1 1 9  1  30 f 4.283470       0.4908505     3.319032       0.6845931     5.303811       0.7041551 
1 1 1 9  1  31 o 2.115298       0.5154130     1.988856       0.7160105     2.251275       0.7425204 
1 1 1 9  1  32 o 0.2851137      0.5155278     0.6285897      0.7221810     -0.7178108E-01 0.7361526 
1 1 1 9  1  33 f -0.7581035E-01 0.5294490     -0.2121569     0.7454029     0.6301583E-01  0.7521505 
1 1 1 9  1  34 o 0.4369139      0.5514776     1.343944       0.7896295     -0.4267800     0.7705350 
1 1 1 9  1  35 o 0.4147352      0.5583429     -0.6480463     0.7804853     1.528746       0.7990750 
1 1 1 9  2  0  o 118.3135       1.742998      118.3135       1.232486      ?              ?         
1 1 1 9  2  1  o 30.77257       0.4315935     30.08457       0.6060479     31.48052       0.6147766 
1 1 1 9  2  2  o 39.53617       0.4950047     41.63427       0.6880098     37.28460       0.7127290 
1 1 1 9  2  3  o 207.2123       1.866960      214.3944       2.606760      199.6485       2.675127  
1 1 1 9  2  4  o 96.10476       0.9992355     99.23804       1.392383      92.77750       1.434838  
1 1 1 9  2  5  o 117.5597       1.172415      119.9449       1.635126      115.0359       1.681957  
1 1 1 9  2  6  o 38.05522       0.4664903     37.72680       0.6616462     38.37984       0.6578045 
1 1 1 9  2  7  o 128.0098       1.196435      131.2023       1.711885      124.9613       1.672820  
1 1 1 9  2  8  o 461.3071       3.714431      464.7247       5.378616      458.1911       5.135790  
1 1 1 9  2  9  f 437.6429       3.687753      435.6325       4.902493      440.2630       5.596730  
1 1 1 9  2  10 o 64.63905       0.8638638     64.57677       1.285701      64.69032       1.166373  
1 1 1 9  2  11 f 147.4472       1.711946      147.8477       2.545156      147.1163       2.313502  
1 1 1 9  2  12 o 8.486679       0.3272159     8.902242       0.5256870     8.223828       0.4180836 
1 1 1 9  2  13 o 94.00673       1.257162      92.98217       1.776485      95.03455       1.779309  
1 1 1 9  2  14 f 215.2929       2.221416      219.6086       3.174674      211.1527       3.109456  
1 1 1 9  2  15 f 6.012370       0.2545827     5.957079       0.3185004     6.110200       0.4236622 
1 1 1 9  2  16 o 26.85097       0.4494214     25.33740       0.6267872     28.45253       0.6447490 
1 1 1 9  2  17 o 43.60892       0.6178896     43.53967       0.8691942     43.67966       0.8785363 
1 1 1 9  2  18 f 6.568721       0.3239485     6.959420       0.4469018     6.136123       0.4702545 
1 1 1 9  2  19 o 2.357808       0.3299935     2.224808       0.4463926     2.518071       0.4900142 
1 1 1 9  2  20 f 3.661996       0.3640383     3.694374       0.4940960     3.623549       0.5384098 
1 1 1 9  2  21 o 3.706803       0.3971309     3.770445       0.5500903     3.637527       0.5739234 
1 1 1 9  2  22 f 9.025308       0.4404780     9.245957       0.6077061     8.781075       0.6393583 
1 1 1 9  2  23 o 5.614130       0.4239138     5.484102       0.5827327     5.760283       0.6178134 
1 1 1 9  2  24 o 0.6990411      0.4090419     0.5961862      0.5580261     0.8184850      0.6013451 
1 1 1 9  2  25 o -0.7139180E-01 0.4225504     0.4616761      0.5827285     -0.6624770     0.6136208 
1 1 1 9  2  26 o 1.709632       0.4272950     1.585614       0.5914751     1.845008       0.6179679 
1 1 1 9  2  27 o 1.124011       0.4330107     0.9655389      0.5975959     1.299184       0.6282963 
1 1 1 9  2  28 f 0.6448274      0.4482964     1.531083       0.6280231     -0.2759100     0.6401239 
1 1 1 9  2  29 f 3.265587       0.4731224     3.667517       0.6605414     2.842139       0.6779921 
1 1 1 9  2  30 o 2.051407       0.4887108     2.493478       0.7040370     1.640304       0.6789294 
1 1 1 9  2  31 o 4.207965       0.5208789     3.800260       0.7365598     4.615835       0.7367082 
1 1 1 9  2  32 o 0.9636590      0.5255253     1.095815       0.7540649     0.8388507      0.7328012 
1 1 1 9  2  33 o 0.6821319      0.5272439     0.5918854      0.7393077     0.7755357      0.7521287 
1 1 1 9  2  34 o 1.065723       0.5501106     1.480140       0.7833727     0.6625355      0.7726853 
1 1 1 9  2  35 o -0.7907870E-01 0.6011781     -0.1658742     0.8306158     0.1641140E-01  0.8712257 
1 1 1 9  3  0  o 14.31134       0.3970058     14.31134       0.2807255     ?              ?         
1 1 1 9  3  1  o 54.26691       0.6348676     54.00277       0.8700535     54.56771       0.9284673 
1 1 1 9  3  2  o 192.3229       1.795144      194.8556       2.481554      189.5426       2.600022  
1 1 1 9  3  3  o 77.24201       0.8356551     76.31919       1.142392      78.30412       1.225578  
1 1 1 9  3  4  o 87.49403       0.9052206     86.82648       1.277900      88.16636       1.282463  
1 1 1 9  3  5  o 9.804427       0.2408374     9.231751       0.3414522     10.37139       0.3397453 
1 1 1 9  3  6  o 33.97726       0.4347448     36.83035       0.6295197     31.37590       0.6011078 
1 1 1 9  3  7  f 81.05534       0.8400874     81.56429       1.198557      80.56383       1.177840  
1 1 1 9  3  8  o 57.14590       0.6724857     57.17926       0.9529259     57.11279       0.9491621 
1 1 1 9  3  9  o 76.56291       0.9862341     77.84538       1.484301      75.54917       1.319662  
1 1 1 9  3  10 o 85.57018       1.090651      83.28204       1.611838      87.50259       1.481251  
1 1 1 9  3  11 o 65.02621       0.8847756     68.02453       1.338292      62.69814       1.179264  
1 1 1 9  3  12 o 47.43382       0.7515401     49.84803       1.079231      45.16092       1.047171  
1 1 1 9  3  13 o 88.20320       1.202636      89.23715       1.714314      87.20126       1.687569  
1 1 1 9  3  14 o 54.07196       0.8526610     54.02099       1.206625      54.12280       1.205065  
1 1 1 9  3  15 o 50.92905       0.6430461     50.62020       0.8244203     51.40890       1.027588  
1 1 1 9  3  16 o 90.37268       1.073079      89.72477       1.443376      91.17332       1.604506  
1 1 1 9  3  17 o 79.88159       0.9606339     80.93165       1.362078      78.84238       1.355032  
1 1 1 9  3  18 o 9.256589       0.3355680     9.662101       0.4607837     8.798657       0.4896612 
1 1 1 9  3  19 o 10.72714       0.3732502     10.40886       0.5071146     11.10340       0.5513690 
1 1 1 9  3  20 o 0.9835279      0.3440764     1.081719       0.4521151     0.8483877      0.5304024 
1 1 1 9  3  21 f 5.637561       0.3916800     5.131079       0.5348560     6.223286       0.5751777 
1 1 1 9  3  22 o 3.834837       0.3957928     3.884035       0.5462841     3.780475       0.5742323 
1 1 1 9  3  23 o 3.248223       0.4067393     3.364378       0.5560673     3.114565       0.5964903 
1 1 1 9  3  24 o 1.417078       0.4003733     1.504768       0.5455468     1.314717       0.5894217 
1 1 1 9  3  25 o 0.1756845      0.4082829     -0.2805361     0.5535476     0.7199853      0.6046262 
1 1 1 9  3  26 o 3.708966       0.4213608     3.860140       0.5845570     3.545468       0.6079176 
1 1 1 9  3  27 o 0.8477647      0.4215871     1.243050       0.5848240     0.4201116      0.6082970 
1 1 1 9  3  28 o 1.398618       0.4420595     1.267494       0.6021719     1.551877       0.6510140 
1 1 1 9  3  29 o 1.665166       0.4589298     1.215510       0.6319085     2.167070       0.6676118 
1 1 1 9  3  30 o 1.326067       0.4883884     1.485084       0.6781175     1.154690       0.7039794 
1 1 1 9  3  31 o 0.5483863      0.4955121     -0.1245868     0.6757658     1.331026       0.7287496 
1 1 1 9  3  32 f 1.833095       0.5191041     1.458403       0.7160152     2.248244       0.7536801 
1 1 1 9  3  33 o 0.6760159      0.5291476     0.6772454      0.7498345     0.6747960      0.7468299 
1 1 1 9  3  34 o 0.3228199      0.5508162     0.9945484      0.7624520     -0.4104509     0.7966139 
1 1 1 9  3  35 o 0.9590314      0.7685179     2.380870       0.9330321     -2.040890      1.355272  
1 1 1 9  4  0  o 10.66403       0.3729155     10.66403       0.2636911     ?              ?         
1 1 1 9  4  1  o 109.1563       1.099736      111.4123       1.567037      106.9668       1.543747  
1 1 1 9  4  2  o 90.33327       0.9107127     91.57349       1.328501      89.23372       1.250885  
1 1 1 9  4  3  o 44.73814       0.5385390     47.81030       0.7777495     41.90840       0.7464336 
1 1 1 9  4  4  o 33.77027       0.4428199     34.17955       0.6278985     33.36528       0.6245984 
1 1 1 9  4  5  o 152.1541       1.439287      152.6966       2.046283      151.6229       2.024804  
1 1 1 9  4  6  o 17.82283       0.3094924     17.33927       0.4370374     18.30928       0.4383424 
1 1 1 9  4  7  f 111.7950       1.148195      111.1053       1.687339      112.3898       1.566924  
1 1 1 9  4  8  o 18.41200       0.3179996     19.15753       0.4773441     17.81713       0.4263951 
1 1 1 9  4  9  o 59.57787       0.7001314     60.21821       0.9958131     58.95193       0.9845536 
1 1 1 9  4  10 o 63.47064       0.8722841     63.58759       1.304741      63.37612       1.172949  
1 1 1 9  4  11 o 24.92319       0.4982267     26.39970       0.7743894     23.88032       0.6508115 
1 1 1 9  4  12 o 3.051467       0.3613605     2.587534       0.5193025     3.487009       0.5031616 
1 1 1 9  4  13 o 104.7879       1.393915      102.2711       1.964637      107.3391       1.978018  
1 1 1 9  4  14 f 72.47092       1.059877      71.23923       1.496971      73.70895       1.500821  
1 1 1 9  4  15 o -0.8015899E-01 0.4288273     -0.1902994     0.6446572     0.7259676E-02  0.5743248 
1 1 1 9  4  16 o 46.17277       0.6260177     45.72451       0.8086593     46.84320       0.9889523 
1 1 1 9  4  17 o 7.202157       0.2644289     7.307712       0.3345174     7.026341       0.4317279 
1 1 1 9  4  18 f 5.650562       0.2760909     5.698763       0.3450711     5.564813       0.4602521 
1 1 1 9  4  19 o 25.63434       0.5033932     25.55328       0.7063560     25.71799       0.7175879 
1 1 1 9  4  20 o 11.07299       0.4108199     10.82148       0.5626564     11.36017       0.6012344 
1 1 1 9  4  21 o 7.425292       0.3983560     7.241714       0.5457130     7.634699       0.5828386 
1 1 1 9  4  22 o 1.597749       0.3835498     1.888967       0.5248985     1.264115       0.5618249 
1 1 1 9  4  23 f 3.064102       0.3990974     3.007131       0.5469943     3.128953       0.5836005 
1 1 1 9  4  24 o 4.536077       0.4120203     4.973316       0.5629344     4.031600       0.6046711 
1 1 1 9  4  25 o 0.5595683      0.3980166     0.4662017      0.5268404     0.6837115      0.6074979 
1 1 1 9  4  26 o 2.432952       0.4137669     1.699616       0.5505199     3.385028       0.6272738 
1 1 1 9  4  27 o 0.7581170      0.4168909     0.6652436      0.5611623     0.8725085      0.6227871 
1 1 1 9  4  28 f 3.572862       0.4457982     3.520439       0.5950538     3.639923       0.6730304 
1 1 1 9  4  29 o 1.567832       0.4447909     1.410843       0.6020508     1.756492       0.6599931 
1 1 1 9  4  30 o 2.333972       0.4799457     2.869922       0.6599047     1.732123       0.6992984 
1 1 1 9  4  31 o 1.147857       0.5086788     1.697486       0.6970040     0.5215100      0.7440604 
1 1 1 9  4  32 f 2.709577       0.5236487     3.045261       0.7128350     2.316087       0.7717739 
1 1 1 9  4  33 o -0.5490573E-01 0.5651478     -0.3854569E-01 0.8220974     -0.6956482E-01 0.7781882 
1 1 1 9  4  34 o -0.2605739     0.5462486     0.2853153E-01  0.7455681     -0.5956059     0.8026059 
1 1 1 9  5  0  o 118.4596       1.672860      118.4596       1.182891      ?              ?         
1 1 1 9  5  1  o 93.67677       0.9524448     94.87116       1.391266      92.62328       1.306635  
1 1 1 9  5  2  f 59.85202       0.6625789     59.81448       0.9618794     59.88591       0.9140086 
1 1 1 9  5  3  o 6.803220       0.2441953     6.988201       0.3551673     6.637378       0.3362937 
1 1 1 9  5  4  f 13.23884       0.2816781     12.64801       0.4094063     13.76992       0.3881491 
1 1 1 9  5  5  o 46.76724       0.5669382     47.68528       0.8091244     45.88183       0.7946159 
1 1 1 9  5  6  o 76.49623       0.8257371     76.55087       1.171892      76.44234       1.163689  
1 1 1 9  5  7  f 87.47614       0.9545633     87.60905       1.396237      87.35951       1.307993  
1 1 1 9  5  8  o 112.1670       1.167296      111.9990       1.713189      112.3126       1.594775  
1 1 1 9  5  9  o 126.1953       1.270586      127.7664       1.879871      124.8739       1.723991  
1 1 1 9  5  10 o 261.9458       2.301123      263.6162       3.466860      260.6304       3.076549  
1 1 1 9  5  11 f 28.27716       0.4553598     28.04101       0.6072457     28.58055       0.6882946 
1 1 1 9  5  12 o 112.6022       1.478677      111.0780       2.095648      114.1134       2.086712  
1 1 1 9  5  13 o 32.78049       0.6513646     33.25629       0.9428388     32.34606       0.9009271 
1 1 1 9  5  14 o 65.28534       0.9716687     64.81519       1.410916      65.70949       1.340110  
1 1 1 9  5  15 o 72.65246       0.9082190     70.95841       1.227689      74.70029       1.349810  
1 1 1 9  5  16 o 21.50467       0.4040345     21.54209       0.5143817     21.44440       0.6528352 
1 1 1 9  5  17 o 3.718494       0.2402239     3.492957       0.3012916     4.112068       0.3980079 
1 1 1 9  5  18 o 1.478671       0.2526712     1.299957       0.3070473     1.853552       0.4447054 
1 1 1 9  5  19 o 4.400106       0.3019998     4.353272       0.3804789     4.479857       0.4964962 
1 1 1 9  5  20 o 5.597206       0.3377238     5.486491       0.4282806     5.779251       0.5491792 
1 1 1 9  5  21 o 2.495220       0.3335075     3.090349       0.4204614     1.485549       0.5476593 
1 1 1 9  5  22 o 5.734233       0.3943777     5.409994       0.5356024     6.118211       0.5828580 
1 1 1 9  5  23 o 8.765034       0.4257932     8.925825       0.5830050     8.581223       0.6233418 
1 1 1 9  5  24 o 11.07578       0.4549375     11.21770       0.6299874     10.92111       0.6576623 
1 1 1 9  5  25 f 1.599951       0.4007766     2.015303       0.5521030     1.137284       0.5827014 
1 1 1 9  5  26 f 0.4518955      0.4057380     0.4848543      0.5451469     0.4109653      0.6075051 
1 1 1 9  5  27 o 2.649523       0.4325175     2.342062       0.5837252     3.023829       0.6440603 
1 1 1 9  5  28 o 1.442249       0.4944063     2.763922       0.6232216     -0.8017730     0.8120711 
1 1 1 9  5  29 o 2.662475       0.4657041     2.856979       0.6329346     2.432871       0.6876756 
1 1 1 9  5  30 f 0.2911946      0.4573634     0.1982713      0.6081948     0.4121370      0.6938565 
1 1 1 9  5  31 o -0.2619000     0.4850310     -0.9966072E-01 0.6514804     -0.4636618     0.7265120 
1 1 1 9  5  32 o -0.1851455     0.5215122     0.3886784      0.7059050     -0.8747050     0.7738249 
1 1 1 9  5  33 o -0.4898909E-01 0.5240660     -0.2120822     0.7256079     0.1288575      0.7577168 
1 1 1 9  5  34 o 0.3107722      0.5536421     -0.1597566     0.7560998     0.8546786      0.8129207 
1 1 1 9  6  0  f 7.774532       0.3613353     7.774532       0.2555027     ?              ?         
1 1 1 9  6  1  o 128.4299       1.251184      128.7653       1.822373      128.1308       1.720870  
1 1 1 9  6  2  o 180.0553       1.661204      179.7629       2.407434      180.3211       2.295177  
1 1 1 9  6  3  o 82.71520       0.8672716     83.51476       1.266049      82.00828       1.190453  
1 1 1 9  6  4  o 297.5502       2.533481      297.9821       3.661162      297.1534       3.509419  
1 1 1 9  6  5  o 114.3467       1.139053      115.8631       1.665749      113.0149       1.561072  
1 1 1 9  6  6  f 303.5546       2.696691      304.3495       4.096065      302.9464       3.582682  
1 1 1 9  6  7  o 86.97021       0.9570817     85.56829       1.404385      88.18595       1.307806  
1 1 1 9  6  8  o 97.28416       1.044595      97.78471       1.543103      96.86076       1.419221  
1 1 1 9  6  9  o 5.075552       0.2540728     5.550670       0.3885091     4.720517       0.3358434 
1 1 1 9  6  10 o 273.1663       2.397486      268.2836       3.640486      276.9057       3.185916  
1 1 1 9  6  11 o 157.9069       1.565364      156.6801       2.330560      158.9153       2.112924  
1 1 1 9  6  12 o 35.96008       0.5565588     35.62537       0.7557966     36.35660       0.8226297 
1 1 1 9  6  13 o 2.874198       0.2412053     2.508376       0.3312767     3.286955       0.3518871 
1 1 1 9  6  14 f 56.03686       0.7571785     55.84225       1.031989      56.26378       1.114375  
1 1 1 9  6  15 o 33.71009       0.5349435     32.94661       0.7644515     34.44270       0.7488387 
1 1 1 9  6  16 f 63.37512       0.8190091     64.46659       1.176003      62.34714       1.141285  
1 1 1 9  6  17 o 18.60800       0.3870490     18.44863       0.5174721     18.81038       0.5831311 
1 1 1 9  6  18 f 1.453460       0.2706530     1.396127       0.3370408     1.557563       0.4541601 
1 1 1 9  6  19 o 2.549969       0.3062262     3.058099       0.3842427     1.665406       0.5069705 
1 1 1 9  6  20 o 23.20457       0.4831865     23.14594       0.6443809     23.27987       0.7303168 
1 1 1 9  6  21 f 8.060276       0.3740310     8.186862       0.4782506     7.860902       0.6002014 
1 1 1 9  6  22 o 11.11727       0.4084213     11.15161       0.5276474     11.06594       0.6450788 
1 1 1 9  6  23 o 0.2599466      0.3515663     0.3257067      0.4418844     0.1465288      0.5803212 
1 1 1 9  6  24 o 5.822395       0.3913641     6.169969       0.5041023     5.295059       0.6209254 
1 1 1 9  6  25 o 0.1732234      0.3599234     0.4174412      0.4607860     -0.2089652     0.5764339 
1 1 1 9  6  26 o -0.1821965     0.3978423     -0.2191012E-02 0.5384089     -0.3986840     0.5904537 
1 1 1 9  6  27 o 4.178411       0.4269687     4.288848       0.5875913     4.054867       0.6214829 
1 1 1 9  6  28 o 1.942436       0.4417209     1.957686       0.5992270     1.924287       0.6536967 
1 1 1 9  6  29 o 2.824435       0.4514028     2.275258       0.6075847     3.501015       0.6743887 
1 1 1 9  6  30 o 0.8846469      0.4795745     0.8247111      0.6349113     0.9642718      0.7318038 
1 1 1 9  6  31 o 1.127388       0.4816255     0.7132140      0.6528272     1.622048       0.7134451 
1 1 1 9  6  32 o 1.305700       0.5139408     1.210395       0.6920531     1.422894       0.7674197 
1 1 1 9  6  33 f -0.5370383E-01 0.5281421     -0.1238434     0.7240115     0.2606630E-01  0.7721187 
1 1 1 9  6  34 o -0.2826414     0.5436724     -0.1379651     0.7412022     -0.4511331     0.7998844 
1 1 1 9  7  0  o 40.45539       0.7152061     40.45539       0.5057271     ?              ?         
1 1 1 9  7  1  o 93.90675       0.9447913     95.60667       1.345099      92.25139       1.327351  
1 1 1 9  7  2  o 54.68890       0.6186916     54.98663       0.8813365     54.39963       0.8687238 
1 1 1 9  7  3  o 33.64362       0.4619988     33.48779       0.6720125     33.78329       0.6361883 
1 1 1 9  7  4  f 89.01845       0.9307142     88.30833       1.352827      89.65659       1.282448  
1 1 1 9  7  5  o 236.7160       2.127183      238.5675       3.115017      235.0982       2.911834  
1 1 1 9  7  6  o 243.6761       2.239398      243.3217       3.369321      243.9566       2.997213  
1 1 1 9  7  7  o 77.78906       0.8662627     78.19279       1.307297      77.47302       1.156650  
1 1 1 9  7  8  o 20.27645       0.3744109     20.64265       0.5788512     20.01304       0.4909372 
1 1 1 9  7  9  o 84.56264       0.9507357     83.03604       1.391300      85.89999       1.302204  
1 1 1 9  7  10 o 55.67009       0.6609117     57.10007       1.021775      54.64143       0.8666144 
1 1 1 9  7  11 f 5.383729       0.2638797     5.416652       0.4194076     5.362157       0.3394973 
1 1 1 9  7  12 f 108.8186       1.167729      107.9565       1.731146      109.5383       1.581781  
1 1 1 9  7  13 o 32.59041       0.5220316     33.49539       0.7573436     31.77121       0.7205577 
1 1 1 9  7  14 o 141.7688       1.529715      140.3487       2.193542      143.1133       2.134358  
1 1 1 9  7  15 o 34.27668       0.5574199     33.99632       0.8007441     34.54029       0.7764392 
1 1 1 9  7  16 o 3.069039       0.3040290     3.240490       0.4348708     2.905116       0.4252155 
1 1 1 9  7  17 o 2.238967       0.3150371     2.716927       0.4618794     1.823161       0.4308019 
1 1 1 9  7  18 o 3.380757       0.3093894     3.006961       0.4012816     3.928653       0.4858263 
1 1 1 9  7  19 o 22.25759       0.4695824     22.84338       0.6333050     21.54221       0.6998497 
1 1 1 9  7  20 o 26.76391       0.5194590     26.53782       0.6981282     27.04434       0.7775201 
1 1 1 9  7  21 o 4.658448       0.3546847     4.736459       0.4530766     4.534969       0.5700240 
1 1 1 9  7  22 o 2.440739       0.3725838     2.657249       0.4653107     2.053898       0.6219699 
1 1 1 9  7  23 o 6.873166       0.3905301     6.802508       0.4999869     6.983722       0.6254185 
1 1 1 9  7  24 o 3.217123       0.3704354     2.895495       0.4676049     3.759102       0.6070074 
1 1 1 9  7  25 f 1.143878       0.3809008     1.041993       0.4857556     1.306544       0.6137792 
1 1 1 9  7  26 o -0.1072007     0.3737601     -0.6812739     0.4730838     0.8462472      0.6096814 
1 1 1 9  7  27 o -0.4124639     0.3841566     0.4898221E-01  0.4896385     -1.151303      0.6195695 
1 1 1 9  7  28 o 0.4363944      0.4061156     0.4531197      0.5132917     0.4084004      0.6640654 
1 1 1 9  7  29 f -0.2096641     0.4102423     0.9696060E-01  0.5226424     -0.7018094     0.6621368 
1 1 1 9  7  30 o 0.5812495E-01  0.4196452     -0.7002976     0.5228244     1.431584       0.7035714 
1 1 1 9  7  31 o -0.1656370E-01 0.4913739     -0.6404718     0.6645173     0.7361363      0.7298892 
1 1 1 9  7  32 f 0.4921673      0.5162812     0.6656651      0.6664138     0.2317203      0.8165005 
1 1 1 9  7  33 o -0.9903747     0.5292582     -0.2860062     0.7136590     -1.851230      0.7889616 
1 1 1 9  7  34 o 0.9991964      0.5541009     1.018413       0.7503492     0.9761494      0.8217421 
1 1 1 9  8  0  o 195.5621       2.520420      195.5621       1.782206      ?              ?         
1 1 1 9  8  1  o 250.8502       2.214875      249.0997       3.123140      252.6215       3.141553  
1 1 1 9  8  2  o 228.4110       2.053174      228.7347       2.911962      228.0910       2.895363  
1 1 1 9  8  3  o 31.37605       0.4441221     30.55641       0.6276186     32.19812       0.6285495 
1 1 1 9  8  4  o 105.5077       1.084433      106.6468       1.582314      104.4988       1.489161  
1 1 1 9  8  5  o 24.95851       0.4246991     24.65030       0.6433334     25.19657       0.5654134 
1 1 1 9  8  6  o 2.477152       0.2849352     2.286741       0.4448490     2.609618       0.3710380 
1 1 1 9  8  7  o 17.73431       0.3768194     17.18613       0.5763855     18.14350       0.4979776 
1 1 1 9  8  8  o 19.85724       0.3900297     19.22070       0.5936095     20.34080       0.5173842 
1 1 1 9  8  9  o 25.41286       0.4357011     26.17576       0.6700687     24.85403       0.5734914 
1 1 1 9  8  10 f 108.5494       1.157574      106.8805       1.733029      109.8938       1.555446  
1 1 1 9  8  11 o 35.22221       0.5326123     35.89238       0.8052412     34.70099       0.7101449 
1 1 1 9  8  12 f 99.75428       1.111903      98.21043       1.635261      101.0818       1.516396  
1 1 1 9  8  13 o 29.30430       0.4896233     27.76158       0.7365877     30.52557       0.6553703 
1 1 1 9  8  14 o 3.461140       0.2892439     2.856849       0.4594567     3.857851       0.3722704 
1 1 1 9  8  15 o 17.26689       0.4257949     16.80658       0.6136589     17.69426       0.5912935 
1 1 1 9  8  16 o 71.88824       0.9220999     69.85075       1.312128      73.87629       1.296111  
1 1 1 9  8  17 o 9.319083       0.3923655     9.546045       0.5774291     9.124396       0.5347972 
1 1 1 9  8  18 o 21.32557       0.5058869     20.95238       0.7285858     21.67297       0.7029659 
1 1 1 9  8  19 f 0.8534445      0.3408721     0.2891071      0.4469351     1.638206       0.5270404 
1 1 1 9  8  20 o 9.338858       0.3955756     9.638422       0.5261016     8.949211       0.6000136 
1 1 1 9  8  21 o 5.167311       0.3713781     5.068176       0.4842109     5.308941       0.5787628 
1 1 1 9  8  22 o 4.970448       0.3731614     4.952388       0.4900436     4.995372       0.5757054 
1 1 1 9  8  23 o -0.2300282     0.3589487     0.1211270      0.4606893     -0.7725875     0.5726407 
1 1 1 9  8  24 o 1.284991       0.3695501     1.714523       0.4680068     0.5736423      0.6022760 
1 1 1 9  8  25 o 3.984432       0.3972400     4.211005       0.5093368     3.632615       0.6346864 
1 1 1 9  8  26 o 2.362851       0.3926786     1.619342       0.4971927     3.595555       0.6401931 
1 1 1 9  8  27 o 0.5527843      0.4002712     1.103347       0.5145501     -0.2909656     0.6369875 
1 1 1 9  8  28 o 0.7785870      0.4338091     0.7120995      0.5417849     0.8973668      0.7241488 
1 1 1 9  8  29 o 0.5264881      0.4285637     0.3052604      0.5469475     0.8783283      0.6897610 
1 1 1 9  8  30 o 0.1179282      0.4327157     -0.4199017     0.5425075     1.058467       0.7174169 
1 1 1 9  8  31 o 0.2167083      0.4456390     0.8929173E-01  0.5684916     0.4198103      0.7177415 
1 1 1 9  8  32 o 1.116296       0.4696825     0.5280721      0.5872644     2.160434       0.7824225 
1 1 1 9  8  33 o 0.6902795      0.4997027     1.326249       0.6525870     -0.2111564     0.7769405 
1 1 1 9  9  0  f 212.8169       2.748421      212.8169       1.943427      ?              ?         
1 1 1 9  9  1  o 8.924235       0.3143280     9.360494       0.4472171     8.498318       0.4418848 
1 1 1 9  9  2  o 159.9802       1.527164      158.0614       2.157197      161.9081       2.162285  
1 1 1 9  9  3  o 5.455608       0.2974964     5.631420       0.4270934     5.289907       0.4146304 
1 1 1 9  9  4  f 3.292405       0.2848912     3.222100       0.4075815     3.359569       0.3983702 
1 1 1 9  9  5  o 60.94712       0.7390941     60.61582       1.114607      61.20710       0.9873909 
1 1 1 9  9  6  o 7.742932       0.3203367     7.064676       0.4925572     8.240083       0.4217003 
1 1 1 9  9  7  o 34.38167       0.5152013     34.69920       0.7948099     34.15158       0.6765929 
1 1 1 9  9  8  o 12.91909       0.3668777     13.63307       0.5588043     12.37818       0.4863878 
1 1 1 9  9  9  o 3.488338       0.3189672     3.361068       0.4892668     3.582411       0.4206455 
1 1 1 9  9  10 o 22.59624       0.4402133     22.34374       0.6717039     22.78634       0.5828249 
1 1 1 9  9  11 o 23.98677       0.4470191     23.74426       0.6907964     24.16149       0.5863320 
1 1 1 9  9  12 o 3.319026       0.3093614     3.890592       0.5084834     2.983128       0.3898054 
1 1 1 9  9  13 o 1.551558       0.3045104     1.350855       0.4993496     1.670381       0.3842187 
1 1 1 9  9  14 o 30.27643       0.5229346     28.18035       0.7822077     31.97033       0.7031724 
1 1 1 9  9  15 o 2.965908       0.3224963     3.920759       0.5291012     2.401477       0.4067953 
1 1 1 9  9  16 o 68.62856       0.9081984     68.62107       1.300319      68.63568       1.269025  
1 1 1 9  9  17 o 25.25646       0.5393263     25.99113       0.7885981     24.61089       0.7392377 
1 1 1 9  9  18 o 6.926688       0.4137290     7.229692       0.6355947     6.703906       0.5449998 
1 1 1 9  9  20 f 11.38139       0.4268551     11.15759       0.5692046     11.66898       0.6452503 
1 1 1 9  9  21 o 9.410192       0.4150013     9.396120       0.5573969     9.427693       0.6216466 
1 1 1 9  9  22 o 11.98668       0.4343356     12.84772       0.5810675     10.89646       0.6538383 
1 1 1 9  9  23 f 4.704290       0.3910118     4.399004       0.5034869     5.168219       0.6206688 
1 1 1 9  9  24 o 2.657227       0.3876534     2.634992       0.5036639     2.689542       0.6071829 
1 1 1 9  9  25 o 0.2248104      0.3822707     0.1050693      0.5002673     0.3928389      0.5926139 
1 1 1 9  9  26 o 1.268562       0.4046299     1.258103       0.5297221     1.283212       0.6269538 
1 1 1 9  9  27 o -0.3791880     0.3990486     -0.4824257     0.5128922     -0.2208392     0.6352057 
1 1 1 9  9  28 o -0.1603916     0.4146323     0.3144887      0.5243385     -0.9529423     0.6773813 
1 1 1 9  9  29 o 0.3524625      0.4190706     0.2482855      0.5217904     0.5417694      0.7033854 
1 1 1 9  9  30 o 0.1097955      0.4483959     0.3894117      0.5797911     -0.3063395     0.7073062 
1 1 1 9  9  31 o 0.1610865      0.4517718     0.1470860      0.5691066     0.1849416      0.7428690 
1 1 1 9  9  32 o -0.1822200     0.4722621     0.1733640      0.5917383     -0.8060769     0.7837925 
1 1 1 9  9  33 o -0.7842218     0.4847956     -1.298724      0.6212609     0.1691168E-01  0.7752342 
1 1 1 9  10 0  o 17.59006       0.5770085     17.59006       0.4080066     ?              ?         
1 1 1 9  10 1  o 115.2169       1.163002      113.0680       1.636192      117.4113       1.653409  
1 1 1 9  10 2  o 41.85673       0.5541213     42.04752       0.7848399     41.66710       0.7824573 
1 1 1 9  10 3  f 132.9516       1.315430      131.5397       1.854936      134.3800       1.865707  
1 1 1 9  10 4  o 67.60794       0.7829181     67.45642       1.140552      67.74296       1.076637  
1 1 1 9  10 5  o 214.6205       2.050105      216.6580       2.992251      212.8179       2.814481  
1 1 1 9  10 6  o 377.8176       3.398157      374.5733       5.097829      380.4119       4.558681  
1 1 1 9  10 7  o 144.2258       1.493511      146.4220       2.256216      142.5129       1.992559  
1 1 1 9  10 8  o 112.1390       1.211299      112.8356       1.827768      111.5935       1.617510  
1 1 1 9  10 9  o 100.7491       1.116296      100.8162       1.683225      100.6964       1.491474  
1 1 1 9  10 10 o 37.71390       0.5794790     38.26067       0.8843127     37.30243       0.7671361 
1 1 1 9  10 11 o 28.51049       0.4999304     27.14203       0.7648414     29.53128       0.6605791 
1 1 1 9  10 12 o 9.578812       0.3703949     10.13973       0.6020653     9.237234       0.4698265 
1 1 1 9  10 13 o 9.394215       0.3759812     9.705109       0.5961855     9.188921       0.4844672 
1 1 1 9  10 14 o 54.60241       0.7299162     54.69017       1.116047      54.53680       0.9648879 
1 1 1 9  10 15 f 30.62516       0.5420917     30.45801       0.8395762     30.74467       0.7099028 
1 1 1 9  10 16 o 5.817338       0.4099776     5.459695       0.6134326     6.106041       0.5511476 
1 1 1 9  10 17 o 6.256549       0.4350073     6.809994       0.6376814     5.774828       0.5949280 
1 1 1 9  10 18 f 7.006600       0.4430159     6.562677       0.6644713     7.361840       0.5944057 
1 1 1 9  10 19 f 4.849474       0.4304766     5.660724       0.6542873     4.230264       0.5716234 
1 1 1 9  10 20 o 10.24354       0.4141566     10.07722       0.5544383     10.45350       0.6229401 
1 1 1 9  10 21 o 20.54458       0.5067539     20.67970       0.6900464     20.38640       0.7466071 
1 1 1 9  10 22 o 7.605658       0.4257907     7.534260       0.5689645     7.696545       0.6419353 
1 1 1 9  10 23 o 2.817366       0.3885708     3.061184       0.5132337     2.489909       0.5947858 
1 1 1 9  10 24 o 0.9749375      0.3867962     0.9910462      0.5038257     0.9518148      0.6036263 
1 1 1 9  10 25 o 3.960536       0.4194867     3.796556       0.5398197     4.210503       0.6664935 
1 1 1 9  10 26 o 0.9976624      0.4095455     0.8132335      0.5499199     1.227338       0.6136813 
1 1 1 9  10 27 o 0.3190711      0.4043572     0.2701854      0.5319819     0.3859586      0.6222687 
1 1 1 9  10 28 o 1.186006       0.4285214     1.296944       0.5563025     1.024124       0.6720024 
1 1 1 9  10 29 o 0.2506385      0.4444768     -0.2681330E-01 0.5699074     0.6814424      0.7101503 
1 1 1 9  10 30 o -0.1633678E-01 0.4511714     0.5509500E-01  0.5733600     -0.1324866     0.7311239 
1 1 1 9  10 31 o -0.7883330E-01 0.4855939     -0.2217341     0.6195486     0.1487838      0.7819167 
1 1 1 9  10 32 o 0.2616736      0.4793153     0.5649877E-01  0.6098889     0.5931113      0.7751570 
1 1 1 9  10 33 o 0.7951885E-01  0.6072463     -0.4689522     0.7743819     0.9553564      0.9785659 
1 1 1 9  11 0  o 77.06625       1.213369      77.06625       0.8579814     ?              ?         
1 1 1 9  11 1  o 8.392680       0.3412298     8.838854       0.4853508     7.956580       0.4798400 
1 1 1 9  11 2  o 74.94961       0.8382720     74.40622       1.186422      75.49131       1.184571  
1 1 1 9  11 3  o 148.3837       1.460730      147.6620       2.063125      149.1091       2.068454  
1 1 1 9  11 4  o 173.6613       1.718252      171.0996       2.494432      175.9744       2.370271  
1 1 1 9  11 5  o 35.13489       0.5463185     36.76400       0.8130120     33.79364       0.7376903 
1 1 1 9  11 6  o 97.25507       1.064471      97.98092       1.552919      96.61174       1.461971  
1 1 1 9  11 7  o 90.53236       1.008119      91.29350       1.473688      89.86288       1.382106  
1 1 1 9  11 8  o 90.77397       1.044433      89.90120       1.571902      91.46384       1.397529  
1 1 1 9  11 9  o 97.53097       1.108168      96.30412       1.666200      98.50411       1.483958  
1 1 1 9  11 10 f 5.722807       0.3810196     5.310489       0.5908127     6.016400       0.4985467 
1 1 1 9  11 11 o 2.696697       0.3633420     2.145314       0.5902011     3.033200       0.4610706 
1 1 1 9  11 12 f 20.57091       0.4710563     20.25226       0.7349860     20.79305       0.6136581 
1 1 1 9  11 13 o 13.71659       0.4336362     14.63185       0.6978615     13.14094       0.5534530 
1 1 1 9  11 14 o 26.24520       0.5270040     27.72135       0.8291203     25.24454       0.6826446 
1 1 1 9  11 15 o 25.43881       0.5245740     25.80569       0.8334851     25.19816       0.6750385 
1 1 1 9  11 16 o 45.40584       0.6873479     45.62210       1.060382      45.24912       0.9026669 
1 1 1 9  11 17 o 46.52873       0.7333051     47.33492       1.086337      45.85389       0.9939153 
1 1 1 9  11 18 f 11.52092       0.4759819     11.86611       0.7014179     11.22628       0.6480278 
1 1 1 9  11 19 f 10.76704       0.4649568     11.45218       0.7156889     10.26669       0.6116065 
1 1 1 9  11 20 o 0.7828171      0.4226701     1.241418       0.6439352     0.4356640      0.5602545 
1 1 1 9  11 21 o 6.196372       0.4032114     6.469043       0.5448005     5.866109       0.5995818 
1 1 1 9  11 22 o 9.107536       0.4304205     9.286838       0.5772497     8.883024       0.6459384 
1 1 1 9  11 23 o 4.776926       0.4142509     4.520214       0.5473790     5.121036       0.6337422 
1 1 1 9  11 24 o 1.599948       0.4053968     1.452016       0.5394529     1.791891       0.6144820 
1 1 1 9  11 25 o 3.409607       0.4171173     3.468432       0.5533265     3.332178       0.6348210 
1 1 1 9  11 26 o 3.305514       0.4223056     3.232347       0.5567695     3.404630       0.6480246 
1 1 1 9  11 27 o 3.598607       0.4398321     3.370010       0.5892252     3.886263       0.6609721 
1 1 1 9  11 28 o 0.5207244      0.4308319     -0.3101593E-01 0.5619344     1.307575       0.6710647 
1 1 1 9  11 29 o 0.5061404E-01  0.4650208     -0.2042011     0.6036877     0.4224386      0.7292370 
1 1 1 9  11 30 o -0.1171348     0.4758810     0.4192734      0.6145329     -0.9206147     0.7521162 
1 1 1 9  11 31 o 1.177889       0.4901542     0.9622563      0.6235556     1.526586       0.7929425 
1 1 1 9  11 32 o -0.1960755     0.4881915     -0.6190093     0.6256149     0.4624652      0.7806605 
1 1 1 9  12 0  o 4.648015       0.5410091     4.648015       0.3825512     ?              ?         
1 1 1 9  12 1  o 8.066619       0.3763008     7.074102       0.5318652     9.061413       0.5324749 
1 1 1 9  12 2  o 128.6552       1.303794      127.8211       1.840976      129.4945       1.846725  
1 1 1 9  12 3  o 10.10313       0.3981398     10.09445       0.5898621     10.11039       0.5395986 
1 1 1 9  12 4  o 3.053973       0.3742377     2.742532       0.5617142     3.302556       0.5018370 
1 1 1 9  12 5  o 38.18752       0.5902627     37.94445       0.8656547     38.39874       0.8069489 
1 1 1 9  12 6  o 9.420619       0.4047588     9.574301       0.5963327     9.289337       0.5511627 
1 1 1 9  12 7  o 12.55186       0.4217699     12.48795       0.6305536     12.60362       0.5673810 
1 1 1 9  12 8  o 25.70573       0.5055450     25.46713       0.7378957     25.91679       0.6940172 
1 1 1 9  12 9  o 26.23346       0.5282251     26.37363       0.8019570     26.12604       0.7020239 
1 1 1 9  12 10 o 45.39447       0.6970873     46.04501       1.023104      44.83080       0.9523544 
1 1 1 9  12 11 o 20.31989       0.4815909     20.79251       0.7711154     20.01766       0.6166382 
1 1 1 9  12 12 o 53.50740       0.7470674     52.96719       1.142631      53.91075       0.9873276 
1 1 1 9  12 13 o 2.163673       0.4006251     2.740629       0.6433831     1.798297       0.5119990 
1 1 1 9  12 14 o 11.86728       0.4555791     11.47808       0.7220837     12.12465       0.5872033 
1 1 1 9  12 15 o 4.630684       0.4129182     4.347627       0.6718910     4.802473       0.5234306 
1 1 1 9  12 16 o -0.1981091     0.4075265     0.3481573      0.6627688     -0.5302023     0.5167611 
1 1 1 9  12 17 o 0.1191515      0.4099852     -0.9907091E-01 0.6618966     0.2549958      0.5222291 
1 1 1 9  12 18 o 2.462245       0.4392157     2.554334       0.6699262     2.392821       0.5816712 
1 1 1 9  12 19 o 1.601243       0.4300059     1.109256       0.6492220     1.985761       0.5739511 
1 1 1 9  12 20 o 2.590644       0.4312590     2.297299       0.6507513     2.820366       0.5758746 
1 1 1 9  12 21 o 0.7328582      0.4217845     0.7721013      0.6580474     0.7054934      0.5495055 
1 1 1 9  12 22 o 2.506128       0.3751999     2.864835       0.5089310     2.079041       0.5553248 
1 1 1 9  12 23 o 4.685160       0.4029042     4.574732       0.5482291     4.814848       0.5941185 
1 1 1 9  12 24 o 7.576105       0.4465133     7.702128       0.6150472     7.435666       0.6492721 
1 1 1 9  12 25 o 2.919605       0.4333443     2.815394       0.5708653     3.061309       0.6656868 
1 1 1 9  12 26 o 2.166706       0.4622513     2.452422       0.5907188     1.715390       0.7424279 
1 1 1 9  12 27 o 1.143654       0.4431089     1.938427       0.6020312     0.2041361      0.6545606 
1 1 1 9  12 28 o 0.2004572      0.4447688     -0.1422281     0.5773280     0.7007934      0.6975991 
1 1 1 9  12 29 o 0.4392299      0.4603707     0.9146014      0.6071555     -0.2037379     0.7061191 
1 1 1 9  12 30 f 0.4632851      0.4876042     0.4734339      0.6397280     0.4492149      0.7532484 
1 1 1 9  12 31 o 0.7057825      0.5036196     0.4933102      0.6733247     0.9755916      0.7587552 
1 1 1 9  12 32 o 1.579650       0.6221069     1.400304       0.7633728     1.934287       1.073452  
1 1 1 9  13 0  o 1.050652       0.5100527     1.050652       0.3606617     ?              ?         
1 1 1 9  13 1  o 66.47980       0.7993197     67.61890       1.136780      65.36589       1.124144  
1 1 1 9  13 2  o 42.65206       0.6338594     43.08019       0.9326679     42.28458       0.8640810 
1 1 1 9  13 3  o 59.51159       0.7683977     60.29893       1.130593      58.83570       1.047513  
1 1 1 9  13 4  o 103.8642       1.148880      106.5167       1.689956      101.5848       1.566574  
1 1 1 9  13 5  o 126.0188       1.338185      129.2629       1.969991      123.2395       1.823453  
1 1 1 9  13 6  o 189.5220       1.894409      191.9535       2.769054      187.3826       2.597377  
1 1 1 9  13 7  f 89.23792       1.022591      91.15849       1.499410      87.56785       1.398211  
1 1 1 9  13 8  o 21.14515       0.5081156     21.01131       0.7256311     21.27390       0.7117383 
1 1 1 9  13 9  o 24.17624       0.5176271     23.64275       0.7503667     24.66061       0.7149848 
1 1 1 9  13 10 o 43.81865       0.7067312     43.47549       1.030636      44.12322       0.9709681 
1 1 1 9  13 11 o 1.989550       0.4071258     1.895095       0.6520731     2.049893       0.5211945 
1 1 1 9  13 12 o 35.56018       0.6323948     36.00035       0.9759108     35.24156       0.8303107 
1 1 1 9  13 13 o 32.86685       0.6126736     33.17181       0.9536405     32.65250       0.7994998 
1 1 1 9  13 14 o 14.61185       0.4927582     14.53820       0.7762600     14.66156       0.6377189 
1 1 1 9  13 15 f 1.815994       0.4257153     3.011624       0.6730810     1.018773       0.5496147 
1 1 1 9  13 16 o 15.41613       0.4950507     15.12901       0.7853461     15.60545       0.6377030 
1 1 1 9  13 17 o 29.02422       0.5910505     28.84939       0.9242914     29.14516       0.7687746 
1 1 1 9  13 18 o 12.92301       0.4695954     13.22336       0.7520567     12.73107       0.6012031 
1 1 1 9  13 19 o 7.330649       0.4648825     9.472458       0.7279754     5.855727       0.6041029 
1 1 1 9  13 20 o 6.129041       0.4547848     5.653296       0.7058415     6.466733       0.5946768 
1 1 1 9  13 21 o 2.951414       0.4296271     2.894419       0.6718834     2.990837       0.5587965 
1 1 1 9  13 22 o 6.699648       0.4625781     5.872939       0.7086328     7.313489       0.6106227 
1 1 1 9  13 23 o 3.033451       0.4073339     3.313273       0.5661927     2.733241       0.5864558 
1 1 1 9  13 24 o 1.822365       0.4017059     1.990921       0.5612160     1.645279       0.5752394 
1 1 1 9  13 25 f 1.885436       0.4177462     1.509884       0.5777929     2.296766       0.6046892 
1 1 1 9  13 26 o 5.271895       0.4568056     5.164070       0.6424875     5.382124       0.6496127 
1 1 1 9  13 27 o 2.624906       0.4540797     2.648164       0.6194944     2.597902       0.6675233 
1 1 1 9  13 28 o 2.526012       0.4703776     3.143220       0.6398162     1.800050       0.6938989 
1 1 1 9  13 29 o 2.825722       0.4942828     2.917710       0.6581407     2.706706       0.7486080 
1 1 1 9  13 30 o 1.293653       0.4988343     1.337211       0.6583940     1.234951       0.7643129 
1 1 1 9  13 31 o 0.2747724      0.5108835     0.4901457      0.6678851     -0.2896841E-01 0.7931538 
1 1 1 9  14 0  o 36.05141       0.8212646     36.05141       0.5807217     ?              ?         
1 1 1 9  14 1  o 105.5329       1.137865      105.7964       1.612911      105.2719       1.605483  
1 1 1 9  14 2  o 163.9652       1.684586      166.2376       2.466524      161.9786       2.306271  
1 1 1 9  14 3  o 114.0561       1.246746      117.2163       1.835449      111.3490       1.698798  
1 1 1 9  14 4  o 188.2622       1.897177      190.0157       2.771622      186.7164       2.602394  
1 1 1 9  14 5  o 92.33125       1.058556      93.46563       1.550515      91.34095       1.448712  
1 1 1 9  14 6  o 12.45859       0.4535025     12.13909       0.6641989     12.73761       0.6207065 
1 1 1 9  14 7  o 51.35132       0.7270265     49.07232       1.051237      53.44072       1.006559  
1 1 1 9  14 8  o 12.13742       0.4745277     11.52334       0.6955285     12.67216       0.6490471 
1 1 1 9  14 9  o 41.82410       0.6639664     40.56682       0.9652784     42.95317       0.9147393 
1 1 1 9  14 10 o 16.75766       0.5401166     15.31047       0.8055561     17.93959       0.7279990 
1 1 1 9  14 11 o 1.452989       0.4472592     1.986369       0.6897010     1.065907       0.5875486 
1 1 1 9  14 12 o 5.361286       0.4581329     5.547894       0.7326902     5.241491       0.5870454 
1 1 1 9  14 13 o 16.83319       0.5247309     16.30809       0.8150995     17.20482       0.6857212 
1 1 1 9  14 14 f 16.02945       0.5115395     15.68338       0.8008819     16.26792       0.6648213 
1 1 1 9  14 15 o 12.75001       0.4948777     12.98335       0.7809334     12.59343       0.6397251 
1 1 1 9  14 16 f 1.895593       0.4356025     2.562498       0.7152783     1.502442       0.5491902 
1 1 1 9  14 17 o 1.630808       0.4238275     2.845100       0.6896823     0.8939850      0.5372407 
1 1 1 9  14 18 o 9.082896       0.4557668     8.713547       0.7356776     9.312951       0.5806087 
1 1 1 9  14 19 o 5.937225       0.4366715     5.358010       0.7090867     6.291080       0.5542326 
1 1 1 9  14 20 o 0.6619900E-01  0.4285616     0.3350518      0.6677599     -0.1220987     0.5588376 
1 1 1 9  14 21 o 0.7969045      0.4413122     1.128031       0.6843488     0.5611791      0.5774093 
1 1 1 9  14 22 o 3.323081       0.4452148     3.467952       0.7049839     3.226972       0.5742071 
1 1 1 9  14 23 o 4.129548       0.4687261     4.416912       0.7280442     3.926113       0.6125690 
1 1 1 9  14 24 o 2.169849       0.4625468     1.859249       0.7273714     2.380730       0.5993413 
1 1 1 9  14 25 o 2.402715       0.4362884     3.396790       0.6164107     1.404799       0.6176008 
1 1 1 9  14 26 o 0.3866840      0.4469599     0.8325511      0.6134495     -0.1178400     0.6525549 
1 1 1 9  14 27 o 0.3633724      0.4678005     -0.7625268     0.6442515     1.619031       0.6803643 
1 1 1 9  14 28 o 0.6226972      0.4819739     0.6349609      0.6584324     0.6085403      0.7074301 
1 1 1 9  14 29 o 2.837606       0.5180351     2.749212       0.7037399     2.942157       0.7653571 
1 1 1 9  14 30 o 1.169067       0.4928567     1.018407       0.6658452     1.351646       0.7329924 
1 1 1 9  15 0  f 5.680520       0.6309146     5.680520       0.4461240     ?              ?         
1 1 1 9  15 1  o 6.988594       0.4540688     7.642141       0.6785689     6.458672       0.6110290 
1 1 1 9  15 2  o 20.70349       0.5263150     20.33848       0.7765484     21.01363       0.7158008 
1 1 1 9  15 3  o 9.027316       0.4677344     10.14306       0.6889880     8.073549       0.6370174 
1 1 1 9  15 4  f 47.17694       0.6966040     48.03907       1.019531      46.42204       0.9540218 
1 1 1 9  15 5  o 57.21497       0.7907638     59.23500       1.173043      55.53241       1.070584  
1 1 1 9  15 6  o 28.32624       0.5721705     29.06709       0.8367283     27.67555       0.7841691 
1 1 1 9  15 7  o 21.61972       0.5417746     20.49862       0.7924621     22.60354       0.7423597 
1 1 1 9  15 8  o 81.61488       0.9993029     79.85138       1.454421      83.19183       1.375347  
1 1 1 9  15 9  o 86.62159       1.039189      84.27959       1.501098      88.77704       1.440073  
1 1 1 9  15 10 o 88.20102       1.093226      87.80331       1.545082      88.59972       1.547029  
1 1 1 9  15 11 o 47.43762       0.7556727     47.65414       1.149522      47.27284       1.002804  
1 1 1 9  15 12 o 14.46298       0.5279265     14.88849       0.8207816     14.16273       0.6894705 
1 1 1 9  15 13 o 1.614291       0.4631333     0.2777310      0.7336685     2.499722       0.5971492 
1 1 1 9  15 14 o 6.297428       0.4718281     6.220839       0.7371946     6.350572       0.6140810 
1 1 1 9  15 15 o 9.538038       0.4938818     10.23596       0.7686605     9.047327       0.6445300 
1 1 1 9  15 16 o 11.31404       0.4862388     11.75016       0.7679151     11.02216       0.6282207 
1 1 1 9  15 17 o 12.73143       0.4938513     12.96378       0.7898179     12.58227       0.6328127 
1 1 1 9  15 18 f 3.972359       0.4267080     4.584730       0.7082466     3.623412       0.5346347 
1 1 1 9  15 20 o 9.264963       0.4584638     9.324331       0.7467346     9.229046       0.5808203 
1 1 1 9  15 21 o 4.624133       0.4698646     4.103940       0.7104653     5.028532       0.6264198 
1 1 1 9  15 22 o 3.340051       0.4593692     4.140210       0.6978237     2.728139       0.6102418 
1 1 1 9  15 23 o 1.964442       0.4654287     2.370838       0.7239747     1.678163       0.6076354 
1 1 1 9  15 24 o 2.581472       0.4707928     2.407486       0.7509996     2.694113       0.6042706 
1 1 1 9  15 25 o 0.8987717      0.4930747     1.642427       0.7715605     0.3854035      0.6410597 
1 1 1 9  15 26 o 0.6042309      0.4625319     0.7082950E-01  0.6308897     1.224124       0.6801187 
1 1 1 9  15 27 o 1.121616       0.4669498     1.276181       0.6504066     0.9572082      0.6707989 
1 1 1 9  15 28 o 1.781083       0.5002895     1.651935       0.6899695     1.924257       0.7264735 
1 1 1 9  15 29 o 0.2775867      0.4937308     0.1650739E-01  0.6816750     0.5656820      0.7160761 
1 1 1 9  15 30 f 0.3456196      0.5490654     -0.6567776E-01 0.7530404     0.8124732      0.8022887 
1 1 1 9  16 0  o 90.63466       1.568914      90.63466       1.109389      ?              ?         
1 1 1 9  16 1  o 46.63113       0.7290466     47.90813       1.075572      45.54575       0.9915951 
1 1 1 9  16 2  o 43.08565       0.6989021     44.68066       1.043353      41.78740       0.9413002 
1 1 1 9  16 3  o 78.36372       0.9737914     79.94180       1.432592      77.00831       1.327682  
1 1 1 9  16 4  o 27.52597       0.6032468     28.45356       0.8898484     26.73714       0.8205934 
1 1 1 9  16 5  o 26.73540       0.8018522     44.48215       22.39805      26.71262       0.8023665 
1 1 1 9  16 6  o 6.620651       0.4779526     5.990831       0.6887276     7.205731       0.6638146 
1 1 1 9  16 7  o 29.93753       0.6084148     27.66607       0.8785335     32.03094       0.8433985 
1 1 1 9  16 8  o 34.79349       0.6544161     32.87908       0.9381010     36.60826       0.9133630 
1 1 1 9  16 9  o 39.83955       0.6807572     37.42301       0.9771255     42.11881       0.9489643 
1 1 1 9  16 10 o 25.46186       0.6545709     24.38055       0.8788730     26.80883       0.9809169 
1 1 1 9  16 11 o 8.469981       0.4950530     7.963749       0.7289600     8.903316       0.6744360 
1 1 1 9  16 12 o 3.363394       0.4848986     4.112889       0.7609494     2.850985       0.6291868 
1 1 1 9  16 13 o 1.678362       0.4738361     1.475329       0.7506920     1.812825       0.6109120 
1 1 1 9  16 14 o 5.239062       0.4733487     5.129459       0.7475298     5.312425       0.6115821 
1 1 1 9  16 15 o 1.546180       0.4478877     1.851217       0.7212650     1.354729       0.5714091 
1 1 1 9  16 16 o 9.498370       0.4788004     9.419852       0.7672138     9.548459       0.6127760 
1 1 1 9  16 17 o 2.769440       0.4390853     2.662794       0.7174050     2.833318       0.5552267 
1 1 1 9  16 18 o 3.973335       0.4418099     4.260386       0.7508608     3.821322       0.5464112 
1 1 1 9  16 19 o 6.292150       0.4438269     6.522120       0.7334931     6.159316       0.5574597 
1 1 1 9  16 20 o 0.5808247      0.4373424     0.7640755      0.7075706     0.4675362      0.5563394 
1 1 1 9  16 21 f 1.440862       0.4611046     1.388283       0.7148098     1.478334       0.6034446 
1 1 1 9  16 22 o -0.1954137     0.4593086     -0.1172246     0.7165241     -0.2499534     0.5984308 
1 1 1 9  16 23 o 0.7373536      0.4786226     0.6398515      0.7313731     0.8103876      0.6329862 
1 1 1 9  16 24 o 2.188119       0.4916163     2.975902       0.7703957     1.646947       0.6385251 
1 1 1 9  16 25 o 0.9357169      0.4881695     1.505702       0.7807415     0.5698348      0.6255268 
1 1 1 9  16 26 o 0.2004632      0.5125613     1.377508       0.7892617     -0.6580026     0.6740406 
1 1 1 9  16 27 o 0.6699189      0.4791190     0.3219701      0.6521885     1.077863       0.7061810 
1 1 1 9  16 28 o 0.2134043      0.4907357     0.1758538      0.6800309     0.2542081      0.7088777 
1 1 1 9  16 29 o 0.1942863      0.4958190     -0.3986342     0.6781699     0.8751667      0.7267343 
1 1 1 9  17 0  f 2.523156       0.7583794     2.523156       0.5362552     ?              ?         
1 1 1 9  17 1  o 12.75317       0.5436652     13.67000       0.8136960     12.01384       0.7307004 
1 1 1 9  17 2  o 5.085919       0.4967526     5.908983       0.7503025     4.443579       0.6628298 
1 1 1 9  17 3  o 5.214653       0.5030382     4.960006       0.7512732     5.421607       0.6772743 
1 1 1 9  17 4  o 8.739964       0.5067506     7.755426       0.7569644     9.539543       0.6821653 
1 1 1 9  17 5  o 9.516408       0.5200731     10.24768       0.7611548     8.876061       0.7122658 
1 1 1 9  17 6  o 5.020713       0.5113679     5.036911       0.7321817     5.005287       0.7145089 
1 1 1 9  17 7  o 7.956971       0.5090410     7.646868       0.7160677     8.273789       0.7237796 
1 1 1 9  17 8  f 20.31813       0.5795885     20.32715       0.8313212     20.30960       0.8084797 
1 1 1 9  17 9  o 0.8575447      0.4732328     0.3756908      0.6659418     1.349100       0.6726125 
1 1 1 9  17 10 o 2.456023       0.4843826     2.913649       0.7044484     2.045616       0.6671161 
1 1 1 9  17 11 o 6.252877       0.4888377     6.561254       0.7246751     5.995391       0.6621852 
1 1 1 9  17 12 o 1.015586       0.4714004     -0.5279830E-01 0.7044249     1.882074       0.6343844 
1 1 1 9  17 13 o 2.148860       0.4779965     2.426655       0.7477401     1.956894       0.6215861 
1 1 1 9  17 14 o 3.173487       0.4713980     3.404767       0.7470086     3.020440       0.6076720 
1 1 1 9  17 15 o 11.33462       0.5036614     11.05020       0.7980908     11.52287       0.6492863 
1 1 1 9  17 16 o 2.337958       0.4440117     2.963490       0.7224130     1.958196       0.5628802 
1 1 1 9  17 17 o 8.099130       0.4769609     7.408430       0.7536479     8.560603       0.6160228 
1 1 1 9  17 18 o 4.689688       0.4623221     4.228744       0.7395008     4.985446       0.5923565 
1 1 1 9  17 19 o 2.918481       0.4454482     1.763551       0.7197262     3.635562       0.5671182 
1 1 1 9  17 20 o 2.207744       0.4429841     2.635177       0.7389671     1.967983       0.5534521 
1 1 1 9  17 21 o 1.969154       0.4684749     2.712682       0.7576416     1.508908       0.5960878 
1 1 1 9  17 22 o 3.959924       0.4885410     4.186878       0.7502609     3.792854       0.6437156 
1 1 1 9  17 23 o 1.059562       0.4982316     0.6556789      0.7709712     1.349189       0.6528748 
1 1 1 9  17 24 o 0.2962971      0.5048104     1.134318       0.7714239     -0.3313259     0.6675981 
1 1 1 9  17 25 o -0.2426945     0.5104393     -0.7551628     0.7830217     0.1360134      0.6731199 
1 1 1 9  17 26 o 0.4079616E-01  0.5366709     0.8448764      0.8155730     -0.5732610     0.7127177 
1 1 1 9  17 27 o -0.5844554     0.5369342     -0.6958219     0.8519118     -0.5110610     0.6915902 
1 1 1 9  17 28 o 0.5928627      0.5606140     -0.3666478     0.8670791     1.282089       0.7348772 
1 1 1 9  18 0  o 5.696083       0.7720492     5.696083       0.5459212     ?              ?         
1 1 1 9  18 1  o 10.32763       0.6378390     10.91890       0.8827201     9.681602       0.9226880 
1 1 1 9  18 2  o 8.555242       0.5060703     9.184362       0.7646789     8.064951       0.6750541 
1 1 1 9  18 3  o 19.04490       0.5812715     19.62005       0.8556669     18.55204       0.7920932 
1 1 1 9  18 4  o 26.90270       0.6144908     27.77088       0.8953828     26.12973       0.8448589 
1 1 1 9  18 5  o 3.192120       0.5011413     3.389246       0.7299560     3.016374       0.6892371 
1 1 1 9  18 6  o 8.989924       0.5105014     8.931574       0.7368492     9.043785       0.7079347 
1 1 1 9  18 7  f 5.118568       0.5006464     5.150185       0.6999250     5.085444       0.7164044 
1 1 1 9  18 8  o 4.472671       0.5163239     4.577296       0.7330648     4.369669       0.7273532 
1 1 1 9  18 9  o 2.332620       0.4995098     3.156763       0.7186593     1.562351       0.6947731 
1 1 1 9  18 10 o 2.467516       0.4711947     2.229518       0.6757699     2.692718       0.6573517 
1 1 1 9  18 11 o 2.856304       0.4810178     2.813817       0.7145692     2.891510       0.6504644 
1 1 1 9  18 12 o -0.8831366E-01 0.4616788     -0.3922559E-02 0.6794204     -0.1607092     0.6292831 
1 1 1 9  18 13 o 0.8441673      0.4548914     0.4761359      0.6842962     1.135576       0.6089098 
1 1 1 9  18 14 o 1.857609       0.4733332     1.399767       0.7459711     2.166177       0.6124066 
1 1 1 9  18 15 f 3.648516       0.4648057     4.133567       0.7206274     3.302962       0.6082401 
1 1 1 9  18 16 o 13.98668       0.5233398     13.63040       0.8276816     14.22400       0.6755152 
1 1 1 9  18 17 o 8.685814       0.4919607     8.609355       0.8051205     8.731370       0.6214765 
1 1 1 9  18 18 o 7.109488       0.4907359     8.028859       0.7930920     6.539112       0.6246815 
1 1 1 9  18 19 o 2.323475       0.4536603     3.316957       0.7530836     1.757599       0.5683601 
1 1 1 9  18 20 o 1.635430       0.4786760     1.464410       0.7776815     1.739743       0.6073614 
1 1 1 9  18 21 o 4.771628       0.4957595     5.314597       0.7954645     4.426785       0.6339340 
1 1 1 9  18 22 o 4.598162       0.4994815     4.289808       0.8289100     4.773955       0.6258685 
1 1 1 9  18 23 o 7.482525       0.5516304     7.913402       0.8436100     7.160680       0.7291033 
1 1 1 9  18 24 f 4.831715       0.5527193     4.562957       0.8562406     5.023706       0.7236967 
1 1 1 9  18 25 o 0.8821388      0.5473650     0.5974691      0.8370058     1.094846       0.7235180 
1 1 1 9  18 26 o 0.2318220      0.5523467     0.3093503      0.8706244     0.1795967      0.7145646 
1 1 1 9  18 27 o 0.8702086      0.5473835     0.6136876      0.8669398     1.040272       0.7058828 
1 1 1 9  19 0  o 17.36808       0.8642753     17.36808       0.6111349     ?              ?         
1 1 1 9  19 1  f 7.717844       0.5464514     7.042947       0.7644877     8.422908       0.7813873 
1 1 1 9  19 2  o 7.349939       0.5376778     7.394496       0.7495058     7.302695       0.7717651 
1 1 1 9  19 3  o 2.170356       0.4999935     2.313467       0.7462296     2.053769       0.6735394 
1 1 1 9  19 4  o 9.660783       0.5326112     10.08740       0.7868735     9.300063       0.7235557 
1 1 1 9  19 5  o 12.11701       0.5594597     12.98326       0.8139573     11.34131       0.7702425 
1 1 1 9  19 6  o 5.877471       0.5205559     6.213608       0.7237443     5.517203       0.7492737 
1 1 1 9  19 7  f 3.684229       0.5131096     4.056787       0.7225503     3.305217       0.7287830 
1 1 1 9  19 8  f 5.451609       0.5082769     4.985427       0.7294335     5.891593       0.7086416 
1 1 1 9  19 9  o 0.4597213      0.4824459     0.1715623      0.7025126     0.7169219      0.6637034 
1 1 1 9  19 10 o 0.3287122      0.4790895     0.3432162      0.6779230     0.3142413      0.6771473 
1 1 1 9  19 11 f 2.947605       0.4669735     3.126619       0.6950774     2.800334       0.6304439 
1 1 1 9  19 12 o 6.690678       0.4955204     7.127961       0.7342689     6.324986       0.6714767 
1 1 1 9  19 13 o 4.932459       0.4851282     5.284151       0.7306636     4.655190       0.6487649 
1 1 1 9  19 14 o -1.178812      0.4903019     0.6526773      0.6953773     -2.989529      0.6914228 
1 1 1 9  19 15 o 1.849537       0.4712114     3.007895       0.7522768     1.101596       0.6044911 
1 1 1 9  19 16 o 2.356871       0.4736073     2.357882       0.7735295     2.356264       0.5990098 
1 1 1 9  19 17 o 2.365120       0.4798405     2.502639       0.7901403     2.284772       0.6039650 
1 1 1 9  19 18 o 2.270640       0.4747695     2.306926       0.7701328     2.248396       0.6029795 
1 1 1 9  19 19 o 0.2344162      0.4739175     0.3365191      0.7699797     0.1721467      0.6013098 
1 1 1 9  19 20 o 2.056395       0.4773896     1.676082       0.7533133     2.311632       0.6171312 
1 1 1 9  19 21 o 1.538949       0.4909985     2.303756       0.7933808     1.064201       0.6250821 
1 1 1 9  19 22 o 2.749427       0.5284796     1.825575       0.8561260     3.318186       0.6717385 
1 1 1 9  19 23 o 0.3842405      0.5418285     0.3099829      0.8416658     0.4367940      0.7080598 
1 1 1 9  19 24 o 0.5194395      0.5413165     0.9400031      0.8418266     0.2229509      0.7068233 
1 1 1 9  19 25 f 0.7321876E-01  0.5440078     -0.2506800     0.8518592     0.2962852      0.7069364 
1 1 1 9  19 26 f -0.9853282     0.5682784     -0.3275380     0.8647940     -1.485241      0.7539039 
1 1 1 9  20 0  o 4.886866       0.7693908     4.886866       0.5440415     ?              ?         
1 1 1 9  20 1  o 6.756948       0.5339538     6.898852       0.7279483     6.591681       0.7855912 
1 1 1 9  20 2  o 14.20868       0.5871693     14.11494       0.8036593     14.31601       0.8599626 
1 1 1 9  20 3  o 23.82714       0.6279294     25.04373       0.8906171     22.62461       0.8854579 
1 1 1 9  20 4  o 10.97055       0.5435043     10.03664       0.7846048     11.83210       0.7535951 
1 1 1 9  20 5  o 2.263730       0.6562777     2.390136       1.009701      2.171264       0.8635713 
1 1 1 9  20 6  f 25.62247       0.6243714     25.17437       0.8877614     26.06106       0.8783036 
1 1 1 9  20 7  o 21.77020       0.5971968     21.29555       0.8622477     22.20782       0.8279252 
1 1 1 9  20 8  o 14.30994       0.5422384     14.84490       0.7765245     13.80086       0.7575107 
1 1 1 9  20 9  f 1.897467       0.4880120     2.324223       0.6818065     1.449156       0.6988140 
1 1 1 9  20 10 o 1.462845       0.4469872     1.485538       0.6849008     1.446008       0.5899447 
1 1 1 9  20 11 o 8.920962       0.5061079     9.362322       0.7444048     8.541584       0.6901587 
1 1 1 9  20 12 o 10.60056       0.5192603     10.82491       0.7704079     10.41380       0.7029144 
1 1 1 9  20 13 o 5.424405       0.4820480     6.465724       0.7317076     4.625886       0.6407492 
1 1 1 9  20 14 f 5.812209       0.4871795     6.302974       0.7328568     5.423598       0.6521377 
1 1 1 9  20 15 o 7.468189       0.4997300     7.221877       0.7934251     7.630150       0.6433802 
1 1 1 9  20 16 o 7.795785       0.5149621     9.048731       0.8127698     6.955482       0.6656098 
1 1 1 9  20 17 o 5.636391       0.5023420     4.999600       0.7903913     6.067930       0.6506594 
1 1 1 9  20 18 o 3.394718       0.4988445     3.647763       0.8212801     3.246784       0.6279536 
1 1 1 9  20 19 f 1.895123       0.5007270     1.162720       0.8083967     2.351041       0.6378122 
1 1 1 9  20 20 o 2.627089       0.5065345     2.983255       0.8291414     2.415011       0.6398090 
1 1 1 9  20 21 o 1.477281       0.5141225     2.004256       0.8398107     1.161400       0.6502021 
1 1 1 9  20 22 o 2.042738       0.5272692     2.129653       0.8582407     1.990044       0.6682538 
1 1 1 9  20 23 o 0.5880589      0.5351492     -0.1696719     0.8514025     1.082932       0.6880566 
1 1 1 9  20 24 o 0.5489639      0.5676396     0.6121066      0.8734468     0.5027969      0.7468619 
1 1 1 9  20 25 f 1.730317       0.5754861     1.598982       0.8714381     1.831891       0.7663689 
1 1 1 9  21 0  o 0.6942985      0.7200174     0.6942985      0.5091292     ?              ?         
1 1 1 9  21 1  o 1.328883       0.5081571     0.9860510      0.7118703     1.685078       0.7256122 
1 1 1 9  21 2  f 2.571780       0.5208170     2.251372       0.7392812     2.887490       0.7338420 
1 1 1 9  21 3  o 7.859036       0.5405046     8.465067       0.7631621     7.249092       0.7656218 
1 1 1 9  21 4  o 36.63829       0.7164778     37.55965       1.015353      35.72452       1.011165  
1 1 1 9  21 5  o 51.75098       0.8055202     53.11424       1.171098      50.52684       1.109733  
1 1 1 9  21 6  o 38.75690       0.7176030     38.93689       1.031176      38.58788       0.9992636 
1 1 1 9  21 7  f 15.57943       0.5534310     16.31700       0.8068926     14.92423       0.7605049 
1 1 1 9  21 8  o 2.976252       0.5100992     2.709327       0.7306564     3.230052       0.7124659 
1 1 1 9  21 9  o 1.569059       0.5083974     1.441679       0.7259000     1.691697       0.7122592 
1 1 1 9  21 10 o 4.731106       0.4705271     4.985805       0.7317284     4.551540       0.6143961 
1 1 1 9  21 11 o 2.490755       0.4868171     2.085015       0.7207036     2.831226       0.6601956 
1 1 1 9  21 12 o 7.945725       0.5080527     7.977773       0.7642472     7.920347       0.6800846 
1 1 1 9  21 13 o 11.00152       0.5249677     10.69889       0.7899889     11.24085       0.7025181 
1 1 1 9  21 14 o 4.404509       0.4871477     4.290956       0.7447523     4.489425       0.6440329 
1 1 1 9  21 15 o 1.324654       0.4834812     1.107171       0.7396704     1.486889       0.6388477 
1 1 1 9  21 16 o 0.2908174      0.4830654     0.5483814      0.7848748     0.1337576      0.6129013 
1 1 1 9  21 17 o 0.3189009      0.5066569     -0.1992758     0.8152190     0.6450172      0.6467280 
1 1 1 9  21 18 o 0.7290552E-01  0.5085910     0.2862952      0.8190486     -0.6100915E-01 0.6488392 
1 1 1 9  21 19 o 1.820303       0.5248317     1.020673       0.8609597     2.293156       0.6620665 
1 1 1 9  21 20 o 2.283113       0.5262780     1.866632       0.8407491     2.551441       0.6748429 
1 1 1 9  21 21 o 1.867097       0.5334144     2.499577       0.8747874     1.492743       0.6730081 
1 1 1 9  21 22 o 0.4037852      0.5362845     0.6112684E-01  0.8637522     0.6187384      0.6841172 
1 1 1 9  21 23 o 1.183264       0.5534124     0.6480955      0.8726939     1.543231       0.7157281 
1 1 1 9  21 24 o 0.6274341      0.5430033     0.1828525      0.9070022     0.8757969      0.6779160 
1 1 1 9  22 0  o 0.8067943      0.7473717     0.8067943      0.5284716     ?              ?         
1 1 1 9  22 1  o 1.676955       0.5300626     2.649794       0.7495099     0.7035346      0.7497334 
1 1 1 9  22 2  f 0.8467841      0.5152133     0.2948965      0.7384544     1.370226       0.7191715 
1 1 1 9  22 3  o 1.331509       0.5156433     1.841284       0.7340692     0.8349593      0.7244848 
1 1 1 9  22 4  o 2.294739       0.5264806     2.616312       0.7349592     1.955805       0.7545389 
1 1 1 9  22 5  o 1.565447       0.5202327     0.7770184      0.7327601     2.366745       0.7387163 
1 1 1 9  22 6  o 2.075637       0.4936310     2.392135       0.6970883     1.757296       0.6991155 
1 1 1 9  22 7  o 1.321499       0.4837543     0.9618261      0.6732928     1.705303       0.6955118 
1 1 1 9  22 8  o 0.5916609      0.4959078     1.306701       0.6837966     -0.2016768     0.7202625 
1 1 1 9  22 9  o 0.5976498      0.4874866     -0.3340281     0.6915609     1.517827       0.6872793 
1 1 1 9  22 10 o 0.2618406E-01  0.4698743     0.6832633      0.7113583     -0.4823936     0.6258326 
1 1 1 9  22 11 o 4.264844       0.4964670     5.133422       0.7510198     3.590664       0.6616600 
1 1 1 9  22 12 o 5.785920       0.5045689     6.603012       0.7926559     5.229282       0.6542378 
1 1 1 9  22 13 o 2.688947       0.4895596     3.291982       0.7566233     2.254680       0.6420767 
1 1 1 9  22 14 o 3.245115       0.4955815     3.999421       0.7686978     2.708593       0.6482990 
1 1 1 9  22 15 o 3.628190       0.4961143     3.669720       0.7718769     3.598956       0.6475956 
1 1 1 9  22 16 o 0.5469509      0.5004470     1.253710       0.7620963     0.1112800E-01  0.6635673 
1 1 1 9  22 17 f 2.211941       0.5204719     1.691904       0.8422821     2.533168       0.6619820 
1 1 1 9  22 18 f 2.271419       0.5253553     4.124252       0.8405755     1.083737       0.6729897 
1 1 1 9  22 19 o 1.382217       0.5393244     0.5317903      0.8747008     1.903829       0.6850382 
1 1 1 9  22 20 o 0.3830136      0.5377148     -0.1590234     0.8807680     0.7050815      0.6789233 
1 1 1 9  22 21 o 0.9245532      0.5380094     2.235718       0.9073346     0.2135743      0.6681397 
1 1 1 9  22 22 o 1.082784       0.5550954     1.781552       0.9063851     0.6634025      0.7021843 
1 1 1 9  23 0  o 1.260362       0.7548836     1.260362       0.5337833     ?              ?         
1 1 1 9  23 1  o 1.263537       0.5254077     1.056409       0.7157636     1.505547       0.7736901 
1 1 1 9  23 2  o 0.8140017      0.5319398     2.052685       0.7423707     -0.4930740     0.7625898 
1 1 1 9  23 3  o 1.324141       0.5208769     1.979494       0.7407817     0.6832728      0.7325497 
1 1 1 9  23 4  o 3.910485       0.5482240     3.138222       0.7501420     4.795823       0.8031846 
1 1 1 9  23 5  o 3.035407       0.5397174     3.631607       0.7525960     2.404124       0.7744234 
1 1 1 9  23 6  o 2.826010       0.5268391     2.988575       0.7215582     2.640390       0.7710254 
1 1 1 9  23 7  f 1.096319       0.5072961     0.6822430      0.7045338     1.542152       0.7310509 
1 1 1 9  23 8  o -0.1505294     0.5046689     0.3592473      0.7280266     -0.6220886     0.7002053 
1 1 1 9  23 9  o 1.340541       0.5280728     1.050047       0.7618180     1.609216       0.7326512 
1 1 1 9  23 10 o 1.746510       0.4814819     2.686027       0.7517647     1.093084       0.6269425 
1 1 1 9  23 11 o 0.4687392      0.4808054     0.6449053      0.7787828     0.3602343      0.6111948 
1 1 1 9  23 12 o 1.157420       0.5082526     0.8644943E-01  0.7628976     2.012102       0.6815219 
1 1 1 9  23 13 o 2.102709       0.4986112     2.174702       0.7768448     2.052274       0.6502177 
1 1 1 9  23 14 o 0.7771733      0.4963803     0.2218150      0.7690904     1.173679       0.6498533 
1 1 1 9  23 15 o -0.9420251     0.5144796     -0.5745863     0.7873715     -1.215785      0.6796289 
1 1 1 9  23 16 f 0.2276617      0.5328742     -0.5323037     0.8203653     0.7823440      0.7008620 
1 1 1 9  23 17 o -0.4139152     0.5480379     -0.2162865     0.8869767     -0.5359529     0.6970021 
1 1 1 9  23 18 o 1.600489       0.8773272     1.557353       0.9692417     1.796112       2.064044  
1 1 1 9  23 19 o 1.066607       0.5594664     1.409889       0.8998488     0.8502951      0.7143078 
1 1 1 9  23 20 o -0.8299595     0.5692630     -1.271615      0.9328903     -0.5679366     0.7185519 
1 1 1 9  23 21 o 1.573246       0.5671373     2.078172       0.9165161     1.259936       0.7219611 
1 1 1 9  24 0  o 6.298679       0.8403230     6.298679       0.5941981     ?              ?         
1 1 1 9  24 1  o 4.498137       0.5708827     4.009718       0.7990160     5.007477       0.8159505 
1 1 1 9  24 2  o 1.975430       0.5667271     2.672155       0.8206927     1.340353       0.7835436 
1 1 1 9  24 3  o 0.5061533      0.5361660     0.6939448      0.7425559     0.3015984      0.7749900 
1 1 1 9  24 4  o 0.9100578      0.5573242     0.5296307      0.7783206     1.310381       0.7984142 
1 1 1 9  24 5  f 2.755008       0.5655760     3.086096       0.7849020     2.397448       0.8156757 
1 1 1 9  24 6  o 4.638960       0.5745221     5.267538       0.7923313     3.942053       0.8342851 
1 1 1 9  24 7  o 4.992167       0.5547835     5.803193       0.7582988     4.058069       0.8138034 
1 1 1 9  24 8  o 1.312448       0.5344467     1.034337       0.7760512     1.563339       0.7370960 
1 1 1 9  24 9  o 2.522397       0.5366731     1.968014       0.7884832     3.000905       0.7325414 
1 1 1 9  24 10 o 1.293360       0.5077190     1.405784       0.8083103     1.220100       0.6525000 
1 1 1 9  24 11 o 0.5855983      0.5104977     0.4631517      0.7979360     0.6704457      0.6642228 
1 1 1 9  24 12 f -0.4750718E-01 0.5180691     -0.5931709     0.7773761     0.3884736      0.6948680 
1 1 1 9  24 13 f 0.9350099      0.5243720     0.7643608      0.8282126     1.049185       0.6774484 
1 1 1 9  24 14 f 0.3241195      0.5458503     -0.5389872     0.8369498     0.9629872      0.7200665 
1 1 1 9  24 15 o 0.1893501      0.5423796     1.247292       0.8340852     -0.5857514     0.7139353 
1 1 1 9  24 16 o -0.6107929     0.5463413     -0.2305156     0.8265435     -0.9058613     0.7280764 
1 1 1 9  24 17 o 0.6576287      0.5594717     0.2698239      0.8545256     0.9485795      0.7401644 
1 1 1 9  24 18 o 0.1826483      0.5878863     -0.1763972     0.9540576     0.4024259      0.7464342 
1 1 1 9  24 19 o 1.030735       0.5631207     2.226701       0.9420573     0.3658173      0.7024277 
1 1 1 9  25 0  o 1.292463       0.7934576     1.292463       0.5610592     ?              ?         
1 1 1 9  25 1  o 3.960055       0.5482610     3.677957       0.7834935     4.230734       0.7674711 
1 1 1 9  25 2  o 4.242024       0.5898323     3.663365       0.8373286     4.811977       0.8310050 
1 1 1 9  25 3  o 7.349255       0.5975221     7.722680       0.8437825     6.973624       0.8462707 
1 1 1 9  25 4  o 4.342549       0.5789561     4.245203       0.7998547     4.449679       0.8390889 
1 1 1 9  25 5  o 2.790401       0.5726822     3.551522       0.8072406     2.019187       0.8125756 
1 1 1 9  25 6  o 0.5585864      0.5726304     1.301707       0.7855335     -0.2841158     0.8365117 
1 1 1 9  25 7  o 1.220306       0.5838552     0.8483469      0.8108280     1.620856       0.8414128 
1 1 1 9  25 8  o 0.6569160      0.5696687     1.007648       0.7744295     0.2433528      0.8409404 
1 1 1 9  25 9  o 1.396750       0.5210219     0.5172670      0.8298935     1.968930       0.6693839 
1 1 1 9  25 10 o 3.349024       0.5365797     4.148426       0.8589868     2.837485       0.6871367 
1 1 1 9  25 11 o 3.404010       0.5335192     2.762208       0.8330487     3.850313       0.6946803 
1 1 1 9  25 12 o 0.6088858      0.5496150     0.3130023      0.8572246     0.8154206      0.7161944 
1 1 1 9  25 13 o 1.058132       0.5706540     1.172985       0.8657857     0.9699090      0.7588077 
1 1 1 9  25 14 o 4.903839       0.5810624     5.617662       0.8993623     4.392378       0.7612827 
1 1 1 9  25 15 o 5.223794       0.5740719     6.339974       0.8765802     4.385557       0.7596397 
1 1 1 9  25 16 o 2.045240       0.6027464     2.181202       0.9246192     1.944766       0.7948477 
1 1 1 9  25 17 o 0.1782119      0.5765538     1.449644       0.8985927     -0.7114584     0.7516764 
1 1 1 9  26 0  o 99.11768       3.074178      99.11768       2.173772      ?              ?         
1 1 1 9  26 1  o 7.316198       0.5988984     8.043355       0.8396828     6.563238       0.8544507 
1 1 1 9  26 2  f 6.035519       0.6274006     5.871439       0.8842579     6.201859       0.8903300 
1 1 1 9  26 3  o 6.093483       0.5942775     6.176811       0.8271793     6.004591       0.8543498 
1 1 1 9  26 4  o 2.351430       0.6137686     1.951795       0.8594768     2.767321       0.8767817 
1 1 1 9  26 5  o 1.944037       0.6766592     0.9370533      0.9613986     2.932558       0.9525441 
1 1 1 9  26 6  o 1.292492       0.6101972     1.352933       0.8540065     1.229452       0.8721787 
1 1 1 9  26 7  o 1.161364       0.6215101     0.8413983      0.8538645     1.521899       0.9063806 
1 1 1 9  26 8  o 0.7854703      0.5975446     0.5288145      0.8145055     1.084601       0.8793234 
1 1 1 9  26 9  o 0.9970486      0.5644047     0.3744419      0.8760591     1.438842       0.7379657 
1 1 1 9  26 10 o 0.8028224      0.5643309     0.8088477      0.8707050     0.7984579      0.7410500 
1 1 1 9  26 11 o 2.049159       0.5632885     1.325158       0.8499542     2.616192       0.7521945 
1 1 1 9  26 12 f 5.585047       0.5843033     5.460209       0.9337189     5.665400       0.7491078 
1 1 1 9  26 13 o 3.547895       0.6038878     3.457392       0.9149172     3.617762       0.8038709 
1 1 1 9  26 14 o 1.682686       0.5711027     1.921118       0.8657932     1.499031       0.7598583 
1 1 1 9  26 15 o 1.319728       0.5811263     0.6022433      0.9043720     1.824331       0.7584295 
1 1 1 9  27 0  o 3.175797       0.8773115     3.175797       0.6203529     ?              ?         
1 1 1 9  27 1  o 2.438097       0.6218846     2.618333       0.8918443     2.267522       0.8676114 
1 1 1 9  27 2  o 5.880577       0.6478420     5.223745       0.9184241     6.531048       0.9139660 
1 1 1 9  27 3  o 5.599200       0.6490835     5.482798       0.9273167     5.711011       0.9088473 
1 1 1 9  27 4  o 3.673408       0.6446446     2.630712       0.8999069     4.772437       0.9238964 
1 1 1 9  27 5  f 3.274860       0.6468776     2.529764       0.9028015     4.061008       0.9273382 
1 1 1 9  27 6  o 5.836803       0.6590417     6.105846       0.9112386     5.541729       0.9543036 
1 1 1 9  27 7  o 4.898446       0.6362311     4.346883       0.8884128     5.479134       0.9115671 
1 1 1 9  27 8  o 2.984601       0.6570792     2.216322       0.9146137     3.804106       0.9446128 
1 1 1 9  27 9  o -0.3272204     0.5845910     -0.9128529     0.8603617     0.1750387      0.7967688 
1 1 1 9  27 10 f -0.3060108     0.6246712     -2.319931      0.9311208     1.342283       0.8423687 
1 1 1 9  27 11 o 2.303706       0.5993841     2.253150       0.9186759     2.341179       0.7909140 
1 1 1 9  27 12 o 0.8957337      0.5900155     1.751334       0.9531547     0.3642244      0.7512479 
1 1 1 9  28 0  o 0.4399367      0.9040457     0.4399367      0.6392568     ?              ?         
1 1 1 9  28 1  o 0.3680926      0.6273097     -0.4801091     0.8917962     1.198845       0.8825755 
1 1 1 9  28 2  o 1.024051       0.6406900     1.673533       0.8824671     0.3001088      0.9316795 
1 1 1 9  28 3  f 2.321535       0.6635571     1.881765       0.9203851     2.797529       0.9575401 
1 1 1 9  28 4  o 1.745049       0.6370386     -0.2230468E-01 0.8989547     3.527854       0.9028755 
1 1 1 9  28 5  o 4.204254       0.6663539     2.792298       0.9131412     5.812639       0.9745911 
1 1 1 9  28 6  o 3.256001       0.6623772     3.252968       0.9119497     3.259388       0.9636746 
1 1 1 9  28 7  o -0.1868836     0.6654847     -0.9296129     0.9192498     0.6310505      0.9646670 
1 1 1 9  28 8  f 0.9017699      0.6808168     1.616978       0.9587939     0.1744207      0.9668978 
1 1 1 10 0  0  o 972.7162       14.60250      972.7162       10.32553      ?              ?         
1 1 1 10 0  1  o 183.1079       2.540651      183.1079       1.796511      ?              ?         
1 1 1 10 0  2  o 0.5121731      0.3022502     0.5121731      0.2137232     ?              ?         
1 1 1 10 0  3  f 25.44484       0.5562496     25.44484       0.3933278     ?              ?         
1 1 1 10 0  4  o 209.0710       2.805722      209.0710       1.983945      ?              ?         
1 1 1 10 0  5  o 14.20981       0.4260442     14.20981       0.3012587     ?              ?         
1 1 1 10 0  6  o 8.785966       0.3197417     8.785966       0.2260915     ?              ?         
1 1 1 10 0  7  o 8.906796       0.3179989     8.906796       0.2248591     ?              ?         
1 1 1 10 0  8  o 0.6011061      0.2344666     0.6011061      0.1657930     ?              ?         
1 1 1 10 0  9  o 36.69388       0.6972359     36.69388       0.4930203     ?              ?         
1 1 1 10 0  10 o 172.0406       2.306886      172.0406       1.631215      ?              ?         
1 1 1 10 0  11 o 167.7047       2.169476      167.7047       1.534051      ?              ?         
1 1 1 10 0  12 o 20.86944       0.4597948     20.86944       0.3251240     ?              ?         
1 1 1 10 0  13 f 2.906952       0.2559171     2.906952       0.1809607     ?              ?         
1 1 1 10 0  14 o 1.169642       0.2610866     1.169642       0.1846161     ?              ?         
1 1 1 10 0  15 o 15.89117       0.4797933     15.89117       0.3392651     ?              ?         
1 1 1 10 0  16 o 38.67284       0.7857395     38.67284       0.5556017     ?              ?         
1 1 1 10 0  17 o 9.335115       0.4385219     9.335115       0.3100818     ?              ?         
1 1 1 10 0  18 o 7.835557       0.4624980     7.835557       0.3270355     ?              ?         
1 1 1 10 0  19 o 8.076494       0.4993626     8.076494       0.3531027     ?              ?         
1 1 1 10 0  20 o 11.08477       0.5532790     11.08477       0.3912274     ?              ?         
1 1 1 10 0  21 o 2.915980       0.5306727     2.915980       0.3752422     ?              ?         
1 1 1 10 0  22 o 18.07440       0.6611000     18.07440       0.4674683     ?              ?         
1 1 1 10 0  23 f 5.361731       0.5575920     5.361731       0.3942771     ?              ?         
1 1 1 10 0  24 o 1.885854       0.5519907     1.885854       0.3903164     ?              ?         
1 1 1 10 0  25 o 2.192870       0.5526778     2.192870       0.3908022     ?              ?         
1 1 1 10 0  26 o 0.2775875      0.5577483     0.2775875      0.3943876     ?              ?         
1 1 1 10 0  27 o 246.6510       7.685524      246.6510       5.434486      ?              ?         
1 1 1 10 0  28 o 1.310218       0.6193095     1.310218       0.4379180     ?              ?         
1 1 1 10 0  29 o 4.898871       0.6860377     4.898871       0.4851019     ?              ?         
1 1 1 10 0  30 f 1.460413       0.6844146     1.460413       0.4839542     ?              ?         
1 1 1 10 0  31 o -0.1680415     0.6930776     -0.1680415     0.4900799     ?              ?         
1 1 1 10 0  32 o -0.9111643     0.6998532     -0.9111643     0.4948709     ?              ?         
1 1 1 10 0  33 o 0.8493125      0.7534319     0.8493125      0.5327567     ?              ?         
1 1 1 10 0  34 o 0.3555942      0.7717192     0.3555942      0.5456879     ?              ?         
1 1 1 10 1  0  o 15.22123       0.4387826     15.22123       0.3102662     ?              ?         
1 1 1 10 1  1  o 315.2478       2.789492      313.1587       3.939531      317.3485       3.950367  
1 1 1 10 1  2  o 328.9714       2.907968      328.8751       4.125458      329.0664       4.099639  
1 1 1 10 1  3  o 287.8589       2.575920      288.1567       3.667289      287.5690       3.618994  
1 1 1 10 1  4  o 109.7580       1.112206      111.9391       1.544614      107.4095       1.602791  
1 1 1 10 1  5  o 30.95737       0.4254939     31.18449       0.5843034     30.70096       0.6208352 
1 1 1 10 1  6  f 17.23729       0.3072466     17.54358       0.4216524     16.89055       0.4486254 
1 1 1 10 1  7  o 45.47511       0.5344219     45.72390       0.7589332     45.23040       0.7526788 
1 1 1 10 1  8  o 99.92251       0.9896618     100.2878       1.401199      99.55892       1.397993  
1 1 1 10 1  9  o 64.44668       0.6981473     63.05693       1.047514      65.55736       0.9364530 
1 1 1 10 1  10 f 113.4186       1.131196      112.3509       1.632463      114.4049       1.568934  
1 1 1 10 1  11 o 35.53989       0.4888230     35.49967       0.6866329     35.58121       0.6960638 
1 1 1 10 1  12 o 4.587658       0.2009082     4.488192       0.2718764     4.707317       0.2981984 
1 1 1 10 1  13 o 63.09354       0.7643515     61.74394       1.093364      64.38357       1.068962  
1 1 1 10 1  14 o 15.70096       0.2961538     15.12029       0.3891200     16.50037       0.4565690 
1 1 1 10 1  15 o 52.61744       0.6426074     52.70926       0.8701752     52.50731       0.9530348 
1 1 1 10 1  16 o 30.95680       0.4861191     30.10705       0.6813366     31.83788       0.6937848 
1 1 1 10 1  17 o 34.47908       0.5297971     34.99664       0.7507210     33.96557       0.7477801 
1 1 1 10 1  18 o 15.24793       0.3777145     14.83837       0.5291835     15.67330       0.5392979 
1 1 1 10 1  19 o 3.579781       0.3155537     3.721220       0.4374583     3.426356       0.4556161 
1 1 1 10 1  20 o 17.84497       0.4413432     18.08506       0.6227216     17.60266       0.6255953 
1 1 1 10 1  21 f 7.512719       0.3906634     7.560752       0.5422739     7.460892       0.5632882 
1 1 1 10 1  22 o 4.038352       0.3869807     4.265570       0.5358804     3.790730       0.5594252 
1 1 1 10 1  23 o 4.273953       0.3930559     3.264931       0.5368505     5.439763       0.5770544 
1 1 1 10 1  24 o 1.374341       0.3899853     2.602936       0.5422301     0.5776311E-01  0.5613095 
1 1 1 10 1  25 o 4.809753       0.4001625     4.947741       0.5629123     4.668782       0.5689667 
1 1 1 10 1  26 o 1.233325       0.4106392     0.9843475      0.5754300     1.491695       0.5861824 
1 1 1 10 1  27 o 1.499239       0.4204071     1.754105       0.5875877     1.231933       0.6017563 
1 1 1 10 1  28 o 4.228357       0.4576837     4.345331       0.6363866     4.103031       0.6587157 
1 1 1 10 1  29 o 0.1945991      0.4547189     -0.7225873E-01 0.6392775     0.4678844      0.6469303 
1 1 1 10 1  30 o -0.7573066     0.4692495     -0.8155396     0.6378379     -0.6886050     0.6928024 
1 1 1 10 1  31 o 0.8078525E-01  0.4937741     -0.4922657     0.6829222     0.7085302      0.7147699 
1 1 1 10 1  32 o -0.5251441     0.5114604     -1.138239      0.7148952     0.1177063      0.7320378 
1 1 1 10 1  33 f 1.005619       0.5240141     1.262131       0.7330335     0.7375451      0.7493724 
1 1 1 10 1  34 o -0.3454883E-02 0.5378354     -0.9556900     0.7652142     0.9262216      0.7560958 
1 1 1 10 2  0  f 31.98610       0.6472166     31.98610       0.4576512     ?              ?         
1 1 1 10 2  1  o 19.21092       0.3488812     19.53836       0.4947703     18.88711       0.4920262 
1 1 1 10 2  2  o 122.2809       1.243708      120.9864       1.710352      123.7336       1.811762  
1 1 1 10 2  3  o 18.34639       0.3267699     18.13829       0.4466563     18.58603       0.4793152 
1 1 1 10 2  4  f 114.8412       1.176780      115.1934       1.622638      114.4505       1.709169  
1 1 1 10 2  5  o 27.92368       0.4052998     29.31703       0.5624313     26.41847       0.5845703 
1 1 1 10 2  6  o 111.7162       1.135999      113.4595       1.579137      109.8463       1.635432  
1 1 1 10 2  7  o 165.6462       1.524641      166.0377       2.148573      165.2491       2.163846  
1 1 1 10 2  8  o 67.07500       0.6978511     65.00531       1.009356      68.97029       0.9658982 
1 1 1 10 2  9  o 121.3328       1.212723      120.3828       1.738092      122.2340       1.692900  
1 1 1 10 2  10 o 142.1656       1.405330      142.5661       1.937226      141.7208       2.041766  
1 1 1 10 2  11 o 83.30524       1.076012      83.96851       1.602592      82.76080       1.451956  
1 1 1 10 2  12 f 23.99924       0.4822578     23.85873       0.7382859     24.10382       0.6369178 
1 1 1 10 2  13 o 29.48819       0.5461555     30.21469       0.8383479     28.95251       0.7198784 
1 1 1 10 2  14 o 117.4696       1.533320      116.8573       2.181937      118.0669       2.155194  
1 1 1 10 2  15 o 1.721117       0.3846249     0.9415522      0.5457304     2.490545       0.5421706 
1 1 1 10 2  16 o 8.013164       0.2657436     7.974981       0.3355458     8.077410       0.4352496 
1 1 1 10 2  17 o 4.929967       0.2710679     4.727953       0.3356303     5.308920       0.4596880 
1 1 1 10 2  18 o 5.470476       0.2890250     5.191218       0.3886844     5.815870       0.4322666 
1 1 1 10 2  19 o 6.185784       0.3232213     6.359025       0.4447593     5.991879       0.4705370 
1 1 1 10 2  20 o 26.32262       0.5053371     25.98366       0.7146938     26.66152       0.7146152 
1 1 1 10 2  21 o 7.388826       0.3791671     7.451356       0.5171345     7.316129       0.5575948 
1 1 1 10 2  22 o 5.439988       0.3756697     5.045006       0.5220740     5.864103       0.5409851 
1 1 1 10 2  23 o 1.302558       0.3718636     1.059291       0.5110386     1.576323       0.5421264 
1 1 1 10 2  24 o 2.793521       0.4666521     1.558165       0.6668910     3.978723       0.6532130 
1 1 1 10 2  25 o 2.314201       0.3976720     2.390991       0.5469269     2.228066       0.5792503 
1 1 1 10 2  26 o 0.1047011      0.3996640     0.7114017      0.5499209     -0.5744965     0.5818501 
1 1 1 10 2  27 o 0.5466868      0.4967403     1.142453       0.6708272     -0.1765602     0.7391219 
1 1 1 10 2  28 o -0.1827099     0.4182720     0.4188315      0.5727195     -0.8703043     0.6123156 
1 1 1 10 2  29 o 2.250780       0.4612144     2.280352       0.6488630     2.220581       0.6557021 
1 1 1 10 2  30 o 0.4187069      0.4641403     0.5056356      0.6460342     0.3259701      0.6672677 
1 1 1 10 2  32 f 0.5495669      0.5020503     -0.1664072     0.6898888     1.355600       0.7319931 
1 1 1 10 2  33 o 0.1959277      0.5201774     0.3185445      0.7198210     0.6190559E-01  0.7525541 
1 1 1 10 2  34 f 0.1014714      0.5400840     0.3447042      0.7414155     -0.1735173     0.7883298 
1 1 1 10 3  0  o 110.3673       1.560026      110.3673       1.103105      ?              ?         
1 1 1 10 3  1  o 82.28273       0.8991873     82.33205       1.232885      82.22668       1.314302  
1 1 1 10 3  2  o 157.8143       1.539376      158.4196       2.127147      157.1486       2.230544  
1 1 1 10 3  3  o 63.22356       0.7249677     64.07572       0.9973839     62.26900       1.055610  
1 1 1 10 3  4  o 131.5299       1.322815      130.3929       1.820402      132.8018       1.925507  
1 1 1 10 3  5  o 17.05783       0.3074140     16.37153       0.4342874     17.74706       0.4352123 
1 1 1 10 3  6  o 232.2292       2.078104      231.8725       2.965748      232.5732       2.912736  
1 1 1 10 3  7  o 3.317469       0.2032920     3.034409       0.2946816     3.574518       0.2808160 
1 1 1 10 3  8  o 9.059747       0.2441560     8.623847       0.3670285     9.405763       0.3270045 
1 1 1 10 3  9  f 67.42973       0.7687536     65.95423       1.104749      68.81498       1.070427  
1 1 1 10 3  10 o 14.61427       0.3959836     14.14475       0.6070391     14.96205       0.5224445 
1 1 1 10 3  11 f 164.0933       1.923804      162.7764       2.863644      165.1765       2.597173  
1 1 1 10 3  12 o 65.36082       0.9156514     64.11699       1.363955      66.38128       1.235419  
1 1 1 10 3  13 f 187.1596       2.177541      186.7155       3.235966      187.5271       2.943750  
1 1 1 10 3  14 o 96.42771       1.320541      94.97118       1.857367      97.91656       1.877856  
1 1 1 10 3  15 f 23.82662       0.5777008     23.04313       0.8238260     24.58464       0.8103259 
1 1 1 10 3  16 o 11.75749       0.4849669     10.80955       0.7052656     12.60777       0.6679485 
1 1 1 10 3  17 o 4.547495       0.1994974     4.591322       0.2273816     4.400955       0.4157777 
1 1 1 10 3  18 o 1.478431       0.2468756     1.356395       0.2954603     1.760708       0.4493586 
1 1 1 10 3  19 o 1.466046       0.2721516     1.530701       0.3575130     1.376951       0.4196791 
1 1 1 10 3  20 f 4.757032       0.3281249     4.921616       0.4374311     4.545273       0.4961784 
1 1 1 10 3  21 f 2.897150       0.3413952     2.604455       0.4503959     3.292417       0.5233976 
1 1 1 10 3  22 o 9.405517       0.4044919     9.322921       0.5463985     9.505665       0.6016623 
1 1 1 10 3  23 o -0.2422607     0.3601686     -0.4580912     0.4798245     0.3629695E-01  0.5451092 
1 1 1 10 3  24 f 3.832233       0.3853457     4.027337       0.5221040     3.598785       0.5711095 
1 1 1 10 3  25 o 1.769126       0.3841618     1.931573       0.5142374     1.563975       0.5778900 
1 1 1 10 3  26 o -0.1139161E-01 0.3950997     0.2624771      0.5340157     -0.3426248     0.5872862 
1 1 1 10 3  27 o 0.2375880      0.4097389     0.2647130      0.5623192     0.2068840      0.5982667 
1 1 1 10 3  28 o 0.2072835      0.4277204     0.5241751      0.5775141     -0.1777245     0.6365640 
1 1 1 10 3  29 o 1.637213       0.4405805     1.473054       0.5951174     1.836303       0.6553831 
1 1 1 10 3  30 o 0.8025615      0.4843188     -0.1031919     0.6520370     1.917312       0.7233628 
1 1 1 10 3  31 o 0.6412848      0.4811362     1.174934       0.6576737     0.2681080E-01  0.7057232 
1 1 1 10 3  32 o 1.272462       0.4950044     1.511557       0.6657415     0.9768484      0.7402562 
1 1 1 10 3  33 o 0.2076260      0.5151466     0.4263102      0.7111190     -0.3386414E-01 0.7472799 
1 1 1 10 3  34 o -0.6293770     0.5323958     -0.9901461     0.7368956     -0.2354240     0.7700403 
1 1 1 10 4  0  o 298.4006       3.702653      298.4006       2.618171      ?              ?         
1 1 1 10 4  1  f 289.3177       2.539416      285.2875       3.548030      293.5507       3.636144  
1 1 1 10 4  2  o 82.61750       0.9045386     83.82088       1.251065      81.29940       1.309346  
1 1 1 10 4  3  o 95.95016       1.021901      94.63226       1.402293      97.44263       1.492272  
1 1 1 10 4  4  o 110.0312       1.119021      110.3248       1.580812      109.7363       1.584262  
1 1 1 10 4  5  o 27.36799       0.3989714     27.82542       0.5694132     26.92684       0.5591874 
1 1 1 10 4  6  o 130.3597       1.279135      128.0959       1.810319      132.6168       1.807624  
1 1 1 10 4  7  o 140.8252       1.366127      137.9370       1.939137      143.6712       1.924931  
1 1 1 10 4  8  o 271.9526       2.467816      268.8692       3.686345      274.4567       3.322051  
1 1 1 10 4  9  o 92.28680       1.048061      89.99496       1.553883      94.19955       1.419571  
1 1 1 10 4  10 o 20.50429       0.4598862     19.26273       0.7022015     21.43679       0.6085583 
1 1 1 10 4  11 o 55.58400       0.8091336     56.75281       1.218915      54.66322       1.081878  
1 1 1 10 4  12 o 76.33284       1.038949      75.86355       1.554747      76.71148       1.396543  
1 1 1 10 4  13 o 25.55921       0.5429026     27.43987       0.8407513     24.21418       0.7110137 
1 1 1 10 4  14 o 1.389231       0.4207070     1.085428       0.6005455     1.682008       0.5895461 
1 1 1 10 4  15 o 13.41532       0.5078015     13.13168       0.7356711     13.67344       0.7018050 
1 1 1 10 4  16 o 13.32622       0.5267692     13.45067       0.7705921     13.21704       0.7217341 
1 1 1 10 4  17 o 41.33995       0.7801867     40.79557       1.115942      41.86044       1.091176  
1 1 1 10 4  18 o 18.01685       0.3782976     17.97331       0.4663518     18.10063       0.6468952 
1 1 1 10 4  19 o 3.440507       0.2486876     3.337623       0.3021667     3.656496       0.4378147 
1 1 1 10 4  20 o 2.785530       0.2696561     2.673790       0.3289841     3.014303       0.4707305 
1 1 1 10 4  21 o 26.52746       0.5273089     26.86236       0.7467351     26.19437       0.7447237 
1 1 1 10 4  22 o 19.46676       0.4780318     19.84171       0.6797527     19.09990       0.6723857 
1 1 1 10 4  23 o 1.276103       0.3561693     0.9166132      0.4705325     1.758456       0.5450401 
1 1 1 10 4  24 f 0.9081803      0.3629113     1.342055       0.4898424     0.3802535      0.5403326 
1 1 1 10 4  25 o 1.218211       0.3823481     1.613680       0.5204834     0.7546362      0.5635211 
1 1 1 10 4  26 o 0.6540169E-01  0.3810833     -0.4326824     0.5075724     0.7089124      0.5769320 
1 1 1 10 4  27 f 5.582064       0.4303570     5.613761       0.5767863     5.542255       0.6463746 
1 1 1 10 4  28 f 0.2868400      0.4158508     0.3499236      0.5496800     0.2024143      0.6359004 
1 1 1 10 4  29 o 0.8545136      0.4380615     1.310365       0.5778756     0.2386624      0.6716772 
1 1 1 10 4  30 o 0.4394082      0.4577252     0.4451415      0.6052582     0.4317487      0.6995804 
1 1 1 10 4  31 o 1.228800       0.6644789     1.872928       1.089039      0.8467809      0.8386871 
1 1 1 10 4  32 o -0.1028367     0.4856383     0.8836854E-01  0.6402397     -0.3619089     0.7452520 
1 1 1 10 4  33 o 0.7546836      0.5097553     0.4245595      0.6713787     1.204047       0.7832991 
1 1 1 10 4  34 o -0.2546124     0.5242646     -1.191459      0.6879723     1.042904       0.8096423 
1 1 1 10 5  0  o 0.4150888      0.3416140     0.4150888      0.2415576     ?              ?         
1 1 1 10 5  1  o 63.80200       0.7256604     64.49573       1.027607      63.11195       1.024876  
1 1 1 10 5  2  o 62.22973       0.6877558     60.88083       0.9908280     63.48391       0.9554059 
1 1 1 10 5  3  o 44.13481       0.5379303     45.35801       0.7881157     43.06789       0.7360472 
1 1 1 10 5  4  o 243.5643       2.205419      246.4522       3.142132      240.7602       3.096242  
1 1 1 10 5  5  o 29.89799       0.4347424     31.16186       0.6220896     28.69153       0.6077968 
1 1 1 10 5  6  f 22.75140       0.3752063     24.05111       0.5425674     21.56016       0.5194320 
1 1 1 10 5  7  o 31.87733       0.4473723     32.62438       0.6393723     31.16076       0.6261936 
1 1 1 10 5  8  o 55.69561       0.6753188     56.13283       0.9998469     55.32883       0.9157720 
1 1 1 10 5  9  o 126.6842       1.293886      127.5078       1.922608      126.0024       1.749308  
1 1 1 10 5  10 o 48.35375       0.6224302     46.55734       0.8792295     50.15852       0.8812725 
1 1 1 10 5  11 o 162.1460       1.930264      163.2720       2.877833      161.2252       2.602497  
1 1 1 10 5  12 o 47.35340       0.7537017     47.46952       1.135131      47.26185       1.007956  
1 1 1 10 5  13 f 31.45470       0.6528677     31.46659       0.9417681     31.44370       0.9058669 
1 1 1 10 5  14 o 23.94479       0.6022161     23.53325       0.8741885     24.31649       0.8307921 
1 1 1 10 5  15 f 1.202358       0.4690566     1.561449       0.6955634     0.9028638      0.6352273 
1 1 1 10 5  16 o 33.15777       0.7058095     32.96308       1.030055      33.33009       0.9690654 
1 1 1 10 5  17 o 50.99122       0.8890260     51.94938       1.290034      50.12457       1.226887  
1 1 1 10 5  18 o 13.92735       0.3437623     13.71327       0.4189910     14.36822       0.6012836 
1 1 1 10 5  19 o 3.458016       0.2510877     3.485945       0.3083259     3.403026       0.4326392 
1 1 1 10 5  20 o 9.851133       0.3302238     9.855961       0.4194190     9.843261       0.5356221 
1 1 1 10 5  21 o 0.7147722      0.2903053     0.8689966      0.3603408     0.4295387      0.4900462 
1 1 1 10 5  22 o 3.542906       0.3233292     3.682078       0.4102205     3.314643       0.5253627 
1 1 1 10 5  23 o 8.165339       0.3672084     8.361274       0.4695870     7.856945       0.5891344 
1 1 1 10 5  24 o 2.345577       0.3426254     2.753035       0.4317485     1.652501       0.5630929 
1 1 1 10 5  25 o -0.2478288     0.3762403     -0.6735276     0.4998297     0.3087327      0.5715147 
1 1 1 10 5  26 o 0.8696420      0.3895741     0.8292632      0.5230991     0.9199292      0.5837612 
1 1 1 10 5  27 o -0.5968384     0.4051574     -0.3151385     0.5402873     -0.9587868     0.6124277 
1 1 1 10 5  28 o 1.451384       0.4280874     1.354471       0.5777492     1.569363       0.6374596 
1 1 1 10 5  29 o 1.279756       0.4407541     1.796381       0.5997717     0.6732031      0.6498801 
1 1 1 10 5  30 o 0.7175086      0.4595243     0.6841471      0.6118959     0.7606605      0.6959117 
1 1 1 10 5  31 o -0.6329915     0.4792720     -1.220303      0.6374588     0.1306931      0.7269003 
1 1 1 10 5  32 o 0.1764353      0.4986243     -0.2158969     0.6687605     0.6675581      0.7482362 
1 1 1 10 5  33 o -0.3846013     0.5196590     -0.3213415     0.7053700     -0.4596910     0.7684994 
1 1 1 10 5  34 o -0.1953890     0.5242999     0.7612032      0.7128528     -1.322663      0.7738401 
1 1 1 10 6  0  o 41.95501       0.7693129     41.95501       0.5439864     ?              ?         
1 1 1 10 6  1  o 19.22344       0.3520204     20.69746       0.5182473     17.96079       0.4796538 
1 1 1 10 6  2  f 29.76892       0.4331736     30.15468       0.6344318     29.43203       0.5928773 
1 1 1 10 6  3  o 20.07372       0.3594291     19.81692       0.5226987     20.30406       0.4950467 
1 1 1 10 6  4  f 7.032441       0.2717122     7.881305       0.4016117     6.315928       0.3689773 
1 1 1 10 6  5  o 20.22936       0.3588248     20.01491       0.5224071     20.42091       0.4937173 
1 1 1 10 6  6  o 44.89651       0.5709688     43.60920       0.8071264     46.18602       0.8078177 
1 1 1 10 6  7  o 152.7080       1.561092      148.5245       2.280199      156.3989       2.141735  
1 1 1 10 6  8  o 147.3375       1.510265      144.3295       2.208867      149.9781       2.069604  
1 1 1 10 6  9  o 187.4144       1.841660      181.5204       2.683289      192.6637       2.532269  
1 1 1 10 6  10 o 111.7598       1.181833      109.5181       1.725218      113.7419       1.622259  
1 1 1 10 6  11 o 18.91563       0.3562691     18.48308       0.5342482     19.26204       0.4780965 
1 1 1 10 6  12 o 45.69756       0.5955471     46.02718       0.8952239     45.43587       0.7976562 
1 1 1 10 6  13 o 20.43243       0.4040446     20.28424       0.5387554     20.62293       0.6108152 
1 1 1 10 6  14 f 44.11177       0.8061617     45.19832       1.163694      43.10914       1.117857  
1 1 1 10 6  15 f 58.81516       0.9560232     57.00419       1.369648      60.53581       1.335058  
1 1 1 10 6  16 o 30.45026       0.5278633     29.67630       0.7113106     31.39894       0.7875152 
1 1 1 10 6  17 o 20.09382       0.4422833     19.98185       0.5884729     20.23917       0.6704876 
1 1 1 10 6  18 o 66.77734       0.9032362     68.87638       1.243803      64.43537       1.313807  
1 1 1 10 6  19 o 13.47941       0.3533699     13.29656       0.4640271     13.73185       0.5452135 
1 1 1 10 6  20 o 14.74142       0.3836383     15.08936       0.5047979     14.26569       0.5902655 
1 1 1 10 6  21 o 8.425866       0.3483208     8.697287       0.4512083     8.025550       0.5479718 
1 1 1 10 6  22 o 6.382789       0.3436836     6.323733       0.4452321     6.469860       0.5406214 
1 1 1 10 6  23 f 10.53129       0.3839469     10.16042       0.4938428     11.09804       0.6104834 
1 1 1 10 6  24 f -0.3087961     0.3293769     -0.4789249     0.4145464     -0.1748868E-01 0.5424504 
1 1 1 10 6  25 o 3.747601       0.3573424     3.945304       0.4517027     3.416911       0.5841925 
1 1 1 10 6  26 o 2.407170       0.3637695     2.752928       0.4684752     1.882117       0.5773008 
1 1 1 10 6  27 f 6.118006       0.4073637     5.672164       0.5192004     6.831985       0.6570335 
1 1 1 10 6  28 o 6.628786       0.4228088     6.369250       0.5372069     7.051248       0.6853889 
1 1 1 10 6  29 o 1.935578       0.4409635     1.464657       0.5920835     2.522138       0.6607918 
1 1 1 10 6  30 o 1.532165       0.4606983     1.494557       0.6089717     1.582491       0.7044614 
1 1 1 10 6  31 o -0.2350831     0.4856275     -0.1668649E-01 0.6419309     -0.5273265     0.7425705 
1 1 1 10 6  32 o 0.9070839E-01  0.5007491     -0.1226264     0.6626311     0.3747500      0.7645959 
1 1 1 10 6  33 f 0.4212897      0.5146610     -0.3332784     0.6916264     1.357561       0.7704121 
1 1 1 10 7  0  o 43.27131       0.7571362     43.27131       0.5353761     ?              ?         
1 1 1 10 7  1  o 45.78183       0.5575606     44.64880       0.7831454     46.94644       0.7939858 
1 1 1 10 7  2  o 13.71482       0.3278293     14.40331       0.4812650     13.11878       0.4477848 
1 1 1 10 7  3  o 96.30727       1.008563      96.61179       1.467474      96.03468       1.388451  
1 1 1 10 7  4  o 141.4714       1.386878      140.2588       2.014709      142.5636       1.912001  
1 1 1 10 7  5  o 53.80303       0.6393140     50.58201       0.9147010     56.87929       0.8939105 
1 1 1 10 7  6  o 16.73303       0.3797305     14.33966       0.5673837     18.67482       0.5110615 
1 1 1 10 7  7  o 99.27244       1.065006      97.13319       1.591143      101.0087       1.433461  
1 1 1 10 7  8  o 28.29685       0.4602323     28.15717       0.6892703     28.40922       0.6182411 
1 1 1 10 7  9  o 33.41859       0.5070711     32.45497       0.7541279     34.21377       0.6850520 
1 1 1 10 7  10 o 105.6392       1.154797      103.2738       1.682390      107.7464       1.587958  
1 1 1 10 7  11 o 41.64576       0.5593339     39.20499       0.8539656     43.47958       0.7402096 
1 1 1 10 7  12 o 52.01290       0.6484177     50.55035       0.9922422     53.10300       0.8566329 
1 1 1 10 7  13 f 56.61585       0.7165121     55.65152       1.070767      57.39777       0.9641943 
1 1 1 10 7  14 o 144.5938       1.553748      144.4341       2.243553      144.7410       2.153853  
1 1 1 10 7  15 o 41.13258       0.6116164     40.63591       0.8718607     41.61383       0.8582132 
1 1 1 10 7  16 f 18.16963       0.4099717     18.26144       0.5939043     18.08606       0.5666319 
1 1 1 10 7  17 o 30.07647       0.5345564     30.57700       0.7740121     29.62002       0.7391465 
1 1 1 10 7  18 o 16.19482       0.4170508     16.25094       0.6002518     16.14244       0.5798737 
1 1 1 10 7  19 o 6.961367       0.3607002     7.143933       0.5154072     6.786123       0.5049672 
1 1 1 10 7  20 o 0.3945391      0.2976893     0.3280964      0.3777313     0.5034527      0.4836155 
1 1 1 10 7  21 o 1.826872       0.3128982     2.106917       0.3979994     1.373670       0.5063071 
1 1 1 10 7  22 o 17.06853       0.4386198     16.35754       0.5809565     18.01109       0.6689036 
1 1 1 10 7  23 o 1.498117       0.3342446     1.380131       0.4192037     1.704037       0.5538062 
1 1 1 10 7  24 o 3.100969       0.5076406     4.125110       0.7388535     2.185234       0.6986563 
1 1 1 10 7  25 o 6.572546       0.3816945     6.691208       0.4916929     6.392596       0.6054985 
1 1 1 10 7  26 o 7.487647       0.4068898     7.542979       0.5286203     7.407205       0.6373774 
1 1 1 10 7  27 f 0.2675616      0.3750153     0.1030186      0.4762270     0.5361538      0.6084445 
1 1 1 10 7  28 f 0.5805436      0.3873911     0.4505413      0.4901181     0.7969722      0.6323860 
1 1 1 10 7  29 o 0.9007629      0.4035898     0.9981015      0.5056328     0.7298746      0.6699598 
1 1 1 10 7  30 o 0.7375855      0.4435673     -0.3847539E-01 0.5753116     1.875109       0.6965228 
1 1 1 10 7  31 o 0.2872503      0.4483037     0.1293842      0.5629313     0.5609611      0.7412369 
1 1 1 10 7  32 o 0.3005393      0.4592786     -0.3573526     0.5821527     1.385005       0.7474251 
1 1 1 10 7  33 o 1.004447       0.4739265     1.229858       0.6120752     0.6669891      0.7489058 
1 1 1 10 8  0  o 7.034883       0.4174968     7.034883       0.2952148     ?              ?         
1 1 1 10 8  1  o 64.11016       0.7203429     64.02547       1.021695      64.19388       1.015769  
1 1 1 10 8  2  f 284.1863       2.499650      287.3193       3.550164      281.1061       3.520105  
1 1 1 10 8  3  o 47.94421       0.6042772     48.72147       0.8860667     47.26841       0.8262224 
1 1 1 10 8  4  o 96.73752       1.021021      97.80648       1.490233      95.79177       1.401711  
1 1 1 10 8  5  o 337.0804       2.974671      339.0573       4.356287      335.3532       4.071753  
1 1 1 10 8  6  o 207.1127       1.999712      202.2334       2.989961      211.0616       2.689830  
1 1 1 10 8  7  f 93.21941       1.020771      93.85086       1.551671      92.73763       1.355342  
1 1 1 10 8  8  o 10.78630       0.3440435     11.26305       0.5330957     10.44600       0.4503949 
1 1 1 10 8  9  o 28.53016       0.4736755     26.81194       0.7118385     29.89555       0.6345590 
1 1 1 10 8  10 o 29.10478       0.4790218     30.01352       0.7392763     28.44712       0.6289067 
1 1 1 10 8  11 o 71.30695       0.8337315     72.72025       1.279587      70.26433       1.099047  
1 1 1 10 8  12 o 180.2018       1.781592      177.7625       2.721121      182.0319       2.357024  
1 1 1 10 8  13 o 150.4907       1.571474      146.7573       2.309538      153.7094       2.144436  
1 1 1 10 8  14 o 55.23879       0.7262782     52.69090       1.074094      57.38501       0.9858018 
1 1 1 10 8  15 o 5.051079       0.3198029     4.905292       0.4779583     5.169255       0.4303224 
1 1 1 10 8  16 o 20.98373       0.4644413     21.02057       0.6721323     20.95006       0.6425071 
1 1 1 10 8  17 o 27.28029       0.5304795     27.54603       0.7676649     27.03742       0.7338964 
1 1 1 10 8  18 o 7.634343       0.3826174     7.548141       0.5568132     7.711459       0.5266510 
1 1 1 10 8  19 o 15.72757       0.4503823     16.61904       0.6618046     14.95855       0.6146767 
1 1 1 10 8  20 o 8.593377       0.4004852     7.809577       0.5862814     9.279065       0.5483614 
1 1 1 10 8  21 o 10.32349       0.3839040     9.915096       0.5082893     10.86586       0.5857598 
1 1 1 10 8  22 o 7.068346       0.3693187     7.279104       0.4809150     6.765375       0.5766014 
1 1 1 10 8  23 o 5.828190       0.3657731     5.756959       0.4736735     5.933404       0.5756820 
1 1 1 10 8  24 o 2.199826       0.3584610     2.053670       0.4619569     2.421003       0.5682824 
1 1 1 10 8  25 f -0.1732886     0.3536443     -0.3802435     0.4498867     0.1613992      0.5721175 
1 1 1 10 8  26 o 2.952950       0.3872181     2.980018       0.4970004     2.911139       0.6176841 
1 1 1 10 8  27 f 1.850310       0.3897748     2.035881       0.4950120     1.547527       0.6323035 
1 1 1 10 8  28 o 3.358261       0.4155042     3.358443       0.5297048     3.357969       0.6699020 
1 1 1 10 8  29 o 0.1105554      0.4061793     0.2064752      0.5062077     -0.6284156E-01 0.6806051 
1 1 1 10 8  30 o 0.3262572      0.4247815     -0.2826625     0.5367360     1.346944       0.6949074 
1 1 1 10 8  32 o 0.4211719      0.4745571     0.6955240      0.5998734     -0.3770846E-01 0.7758095 
1 1 1 10 8  33 o 0.9563373      0.4826108     1.146611       0.6195173     0.6626291      0.7697015 
1 1 1 10 9  0  o 115.4557       1.643102      115.4557       1.161848      ?              ?         
1 1 1 10 9  1  o 66.87950       0.7536688     67.35194       1.066915      66.40894       1.064786  
1 1 1 10 9  2  o 318.9842       2.790926      319.8248       3.956871      318.1520       3.937136  
1 1 1 10 9  3  f 167.3046       1.590222      167.6264       2.256033      166.9867       2.241861  
1 1 1 10 9  4  o 156.5277       1.549388      155.1324       2.247757      157.7908       2.138643  
1 1 1 10 9  5  o 160.9931       1.584942      158.9025       2.295757      162.8969       2.190817  
1 1 1 10 9  6  o 41.84301       0.5920196     40.41523       0.8964250     42.94747       0.7884197 
1 1 1 10 9  7  f 77.46165       0.8977606     76.16377       1.351200      78.48743       1.201239  
1 1 1 10 9  8  o 52.98405       0.7593483     52.58634       1.120329      53.32203       1.032769  
1 1 1 10 9  9  o 89.29771       1.011123      89.84715       1.529927      88.87161       1.347306  
1 1 1 10 9  10 o 40.88453       0.5989992     38.93763       0.9081996     42.38348       0.7968971 
1 1 1 10 9  11 o 118.8343       1.236805      115.6189       1.916668      121.1284       1.618985  
1 1 1 10 9  12 o 10.19866       0.3361345     10.03406       0.5655921     10.28854       0.4179533 
1 1 1 10 9  13 o 7.953009       0.3453013     8.529737       0.5542263     7.587109       0.4414515 
1 1 1 10 9  14 o 19.20563       0.4349988     19.37169       0.6865394     19.09424       0.5622669 
1 1 1 10 9  15 o 31.88464       0.5431545     31.17112       0.8232606     32.43463       0.7227833 
1 1 1 10 9  16 f 5.825687       0.3765346     5.031969       0.5560129     6.498034       0.5117386 
1 1 1 10 9  17 o 3.740001       0.3742647     3.628973       0.5598650     3.829704       0.5032331 
1 1 1 10 9  18 o 13.17945       0.5291475     12.77552       0.6466540     13.99803       0.9205573 
1 1 1 10 9  19 o 5.437972       0.3960976     6.176204       0.5889872     4.828414       0.5352008 
1 1 1 10 9  20 f 14.89573       0.4661638     15.28798       0.6886929     14.56405       0.6332958 
1 1 1 10 9  21 o 4.358635       0.4004323     3.990299       0.5968094     4.660223       0.5400316 
1 1 1 10 9  22 o 10.38191       0.4061990     10.20869       0.5392654     10.60908       0.6175678 
1 1 1 10 9  23 o 0.9002693      0.3531759     1.177516       0.4645385     0.5205111      0.5436786 
1 1 1 10 9  24 o 0.3647128      0.3620640     0.2089570      0.4729201     0.5852985      0.5628003 
1 1 1 10 9  25 o 1.472851       0.3679835     2.039541       0.4745732     0.6183976      0.5827394 
1 1 1 10 9  26 o 0.6158112      0.3765033     0.3709969      0.4803921     1.005644       0.6062007 
1 1 1 10 9  27 o 0.7205765      0.5515724     0.7584799      0.8113945     0.6880137      0.7520623 
1 1 1 10 9  28 o 0.5809605      0.4013850     0.7636752      0.5130244     0.2925990      0.6444955 
1 1 1 10 9  29 o 0.7331930      0.4210272     0.4716043      0.5264633     1.197361       0.7012875 
1 1 1 10 9  30 o -0.4592952     0.4306636     -0.7135610E-01 0.5412830     -1.128512      0.7109283 
1 1 1 10 9  31 o 0.5655072      0.4534591     0.5298276      0.5703214     0.6268291      0.7476825 
1 1 1 10 9  32 o -0.3045651     0.4669658     -0.3902204     0.5947229     -0.1668626     0.7540646 
1 1 1 10 10 0  o 48.21755       0.8721823     48.21755       0.6167260     ?              ?         
1 1 1 10 10 1  f 66.76892       0.7687461     66.10201       1.082528      67.44741       1.091874  
1 1 1 10 10 2  o 99.36174       1.041752      99.90266       1.478692      98.82869       1.467887  
1 1 1 10 10 3  o 113.1582       1.159938      115.0008       1.650493      111.3600       1.630489  
1 1 1 10 10 4  o 25.23615       0.4475445     26.07574       0.6367553     24.41648       0.6291601 
1 1 1 10 10 5  o 124.7418       1.338110      124.6864       2.013119      124.7856       1.791036  
1 1 1 10 10 6  o 42.02221       0.6145816     42.87584       0.9414457     41.38828       0.8113021 
1 1 1 10 10 7  o 34.80798       0.5590543     35.72033       0.8652854     34.15423       0.7324566 
1 1 1 10 10 8  o 36.12804       0.5707235     37.47174       0.8783252     35.14610       0.7508363 
1 1 1 10 10 9  o 59.92337       0.7705297     61.59035       1.176158      58.66999       1.019865  
1 1 1 10 10 10 o 52.47208       0.7089712     53.32972       1.080545      51.82378       0.9394659 
1 1 1 10 10 11 f 43.17567       0.6054443     43.09152       0.9636101     43.23057       0.7782416 
1 1 1 10 10 12 o 37.01405       0.5788735     36.66888       0.8913145     37.26586       0.7612796 
1 1 1 10 10 13 f 41.28201       0.6168234     40.11607       0.9461954     42.14370       0.8134227 
1 1 1 10 10 14 f 11.04326       0.3928875     10.19856       0.6489412     11.53203       0.4936395 
1 1 1 10 10 15 o 3.340455       0.6590212     3.304995       0.6594991     27.78190       17.31439  
1 1 1 10 10 16 o 8.126594       0.3880850     7.497104       0.6273676     8.516779       0.4939279 
1 1 1 10 10 17 o 15.09195       0.5142407     15.44007       0.8318263     14.87661       0.6542374 
1 1 1 10 10 18 o 4.043501       0.4015443     3.915781       0.6010613     4.146450       0.5396313 
1 1 1 10 10 19 f 0.6095781      0.3844082     0.7898111      0.5890142     0.4758570      0.5073510 
1 1 1 10 10 20 o 1.520774       0.3896019     1.503321       0.5835683     1.534809       0.5233052 
1 1 1 10 10 21 o 6.067696       0.4270911     6.633990       0.6351568     5.600329       0.5770167 
1 1 1 10 10 22 f -0.1585878E-01 0.4061314     -0.1976597E-01 0.6013116     -0.1258129E-01 0.5507292 
1 1 1 10 10 23 o -0.9497299E-01 0.3591338     0.6239203      0.4731355     -1.072214      0.5516381 
1 1 1 10 10 24 o 0.2158592      0.3737075     0.5916429      0.5013402     -0.2540433     0.5606186 
1 1 1 10 10 25 o 1.276141       0.3838252     1.592076       0.5042796     0.8410535      0.5917813 
1 1 1 10 10 26 o 1.011919       0.3968711     1.573143       0.5124351     0.1707133      0.6273676 
1 1 1 10 10 27 o 2.537557       0.4052076     2.375734       0.5190369     2.790111       0.6484187 
1 1 1 10 10 28 o 2.355932       0.4195938     1.619061       0.5399566     3.479218       0.6666654 
1 1 1 10 10 29 o 1.762542       0.4656663     2.484747       0.5681072     0.2837369      0.8129346 
1 1 1 10 10 30 o 0.1880920      0.4513211     0.3431782      0.5717219     -0.6836890E-01 0.7352058 
1 1 1 10 10 31 o 0.2745332      0.4591195     0.2458284      0.5859804     0.3201706      0.7388663 
1 1 1 10 10 32 o -0.7540985     0.4819663     -1.136679      0.6086287     -0.1107521     0.7892478 
1 1 1 10 11 0  o 4.506763       0.4565617     4.506763       0.3228378     ?              ?         
1 1 1 10 11 1  o 40.70783       0.5771792     41.78351       0.8221262     39.66233       0.8105072 
1 1 1 10 11 2  o 57.54527       0.7099490     58.68274       1.012587      56.44549       0.9956658 
1 1 1 10 11 3  o 38.40089       0.5648722     37.78944       0.7959933     39.02120       0.8017376 
1 1 1 10 11 4  o 15.85808       0.4122911     17.32878       0.5886134     14.44153       0.5776758 
1 1 1 10 11 5  f 25.75914       0.4946633     27.19872       0.7341913     24.56241       0.6694075 
1 1 1 10 11 6  o 92.22972       1.025000      96.03559       1.520961      89.06306       1.387370  
1 1 1 10 11 7  o 24.93610       0.5038701     25.65205       0.7755127     24.41308       0.6628393 
1 1 1 10 11 8  o 17.25417       0.4512621     16.99006       0.6950484     17.44662       0.5933189 
1 1 1 10 11 9  f 18.20154       0.4595633     18.04111       0.7039177     18.32072       0.6067050 
1 1 1 10 11 10 o 21.46314       0.4852588     20.68069       0.7309095     22.07987       0.6489052 
1 1 1 10 11 11 o 20.70472       0.4535174     20.54914       0.7345412     20.80057       0.5765270 
1 1 1 10 11 12 o 0.2289135      0.3614086     0.6253508      0.5975671     0.2692452E-03  0.4538157 
1 1 1 10 11 13 o 6.251625       0.3835692     6.781062       0.6214632     5.925835       0.4875032 
1 1 1 10 11 14 o 20.33733       0.4798617     20.20598       0.7628999     20.42332       0.6172586 
1 1 1 10 11 15 o 4.290563       0.3847426     3.852621       0.6307698     4.550035       0.4855199 
1 1 1 10 11 16 o 5.660016       0.3930168     5.563844       0.6537458     5.714446       0.4918145 
1 1 1 10 11 17 o 6.513175       0.3979612     6.786147       0.6591914     6.356631       0.4991966 
1 1 1 10 11 18 o 6.353504       0.4233975     7.524686       0.6567872     5.520701       0.5538386 
1 1 1 10 11 19 o 3.471531       0.4093513     3.965003       0.6167682     3.083011       0.5472643 
1 1 1 10 11 20 o 0.9846451      0.3948570     1.260103       0.6091194     0.7849972      0.5185702 
1 1 1 10 11 21 o 13.14581       0.4763468     12.56346       0.7107735     13.62062       0.6418057 
1 1 1 10 11 22 o 12.26380       0.4785154     11.75988       0.7090425     12.68528       0.6484548 
1 1 1 10 11 23 o 6.462962       0.4460062     6.016146       0.6567205     6.845477       0.6076320 
1 1 1 10 11 24 o 2.805348       0.3937154     2.465780       0.5284607     3.228956       0.5902436 
1 1 1 10 11 25 o 1.834602       0.3958099     1.767718       0.5297830     1.919102       0.5954782 
1 1 1 10 11 26 o 0.3571640      0.4022562     0.5624478      0.5340229     0.8791814E-01  0.6115853 
1 1 1 10 11 27 o 0.5603687      0.4153626     -0.1506374     0.5370578     1.618711       0.6552356 
1 1 1 10 11 28 o 1.116050       0.4284263     0.8956572      0.5589607     1.429910       0.6670390 
1 1 1 10 11 29 o 1.019887       0.4420806     1.154828       0.5719244     0.8195838      0.6968021 
1 1 1 10 11 30 o 1.072728       0.4623112     0.4729953      0.5968105     1.972557       0.7310347 
1 1 1 10 11 31 o 0.7762263      0.4778740     0.6989602      0.6110944     0.8978531      0.7667057 
1 1 1 10 11 32 o 0.7219774      0.5923745     0.3254478      0.7443240     1.407049       0.9783450 
1 1 1 10 12 0  f 4.620978       0.5553383     4.620978       0.3926835     ?              ?         
1 1 1 10 12 1  o 23.70233       0.4791787     24.28515       0.6824134     23.13546       0.6730065 
1 1 1 10 12 2  o 5.159976       0.3770694     5.563896       0.5361100     4.764542       0.5304483 
1 1 1 10 12 3  o 13.03712       0.4230777     13.22921       0.6069633     12.85559       0.5900400 
1 1 1 10 12 4  o 119.5704       1.314471      121.3398       1.876870      117.8669       1.841518  
1 1 1 10 12 5  o 81.51978       0.9533477     82.00164       1.392295      81.09442       1.308114  
1 1 1 10 12 6  o 205.1878       2.029008      203.0505       2.943432      207.1230       2.800781  
1 1 1 10 12 7  o 29.10261       0.5294245     29.66880       0.7754418     28.60826       0.7245820 
1 1 1 10 12 8  o 0.5194756      0.3902619     0.6413183      0.5978588     0.4290105      0.5151569 
1 1 1 10 12 9  o 8.461026       0.4289390     9.285389       0.6644598     7.872046       0.5616429 
1 1 1 10 12 10 o 7.484533       0.4257889     7.787123       0.6553497     7.263497       0.5601159 
1 1 1 10 12 11 o 2.997497       0.4144998     3.203424       0.6462536     2.853576       0.5402647 
1 1 1 10 12 12 o 9.532762       0.4335641     9.987698       0.6911359     9.237557       0.5567359 
1 1 1 10 12 13 o 0.6554518      0.3932666     0.1382536      0.6376060     0.9730169      0.4996205 
1 1 1 10 12 14 o 5.480896       0.4156170     4.736272       0.6601380     5.969881       0.5349500 
1 1 1 10 12 15 o 12.55521       0.4492761     11.98266       0.7192987     12.92147       0.5752997 
1 1 1 10 12 16 o 12.68464       0.4527338     12.49910       0.7186934     12.80670       0.5829362 
1 1 1 10 12 17 o 15.37446       0.4692881     14.75907       0.7479405     15.77403       0.6026832 
1 1 1 10 12 18 o 0.2458993      0.4065409     0.8485885      0.6279051     -0.1890980     0.5334461 
1 1 1 10 12 19 f 2.619526       0.4133194     2.491195       0.6467754     2.708110       0.5373589 
1 1 1 10 12 20 o 23.07297       0.5483135     23.03593       0.8227436     23.10257       0.7354444 
1 1 1 10 12 21 o 18.27307       0.5130358     17.35467       0.7785817     18.97785       0.6820482 
1 1 1 10 12 22 o 4.232516       0.4234599     4.581726       0.6671710     3.996926       0.5479904 
1 1 1 10 12 23 f 2.734565       0.4293448     2.131309       0.6334588     3.247177       0.5839312 
1 1 1 10 12 24 f 0.7251533      0.4427376     1.241589       0.6550243     0.2907644      0.6007426 
1 1 1 10 12 25 o 2.873502       0.4141855     3.185826       0.5487223     2.459913       0.6314436 
1 1 1 10 12 26 o 0.2586245      0.4151686     0.2336284      0.5569712     0.2898786      0.6228031 
1 1 1 10 12 27 f 0.2692019      0.4273846     0.7452945E-01  0.5693330     0.5205293      0.6468952 
1 1 1 10 12 28 o 0.4856047      0.4504612     -0.5101524E-01 0.5953516     1.204206       0.6889442 
1 1 1 10 12 29 o 0.3502181      0.4648896     0.5028082      0.5978360     0.1168034      0.7394060 
1 1 1 10 12 30 o -0.1819626     0.4718767     -0.3675329     0.6158948     0.8179868E-01  0.7342734 
1 1 1 10 12 31 o 0.1331142      0.4924002     0.5637510      0.6443140     -0.4715290     0.7634693 
1 1 1 10 13 0  o 0.6724056E-01  0.5240828     0.6724056E-01  0.3705825     ?              ?         
1 1 1 10 13 1  f 31.82293       0.5452794     31.03840       0.7649220     32.63350       0.7775155 
1 1 1 10 13 2  o 29.45338       0.5349072     30.43032       0.7611849     28.50026       0.7518476 
1 1 1 10 13 3  o 55.84763       0.7558969     56.05951       1.111351      55.66523       1.031148  
1 1 1 10 13 4  o 66.84959       0.8388549     68.38284       1.238001      65.54808       1.140614  
1 1 1 10 13 5  o 80.43613       0.9571490     81.21850       1.405608      79.75967       1.306992  
1 1 1 10 13 6  f 56.88986       0.7557090     58.03289       1.112110      55.90926       1.030067  
1 1 1 10 13 7  f 80.41396       0.9569408     80.30267       1.397953      80.51211       1.312704  
1 1 1 10 13 8  o 24.53400       0.5191708     24.68813       0.7641153     24.40183       0.7075768 
1 1 1 10 13 9  o 32.33695       0.6034337     32.50152       0.9211598     32.21324       0.7986584 
1 1 1 10 13 10 o 0.5272276      0.4243940     0.6297055      0.6518096     0.4518133      0.5591554 
1 1 1 10 13 11 f 9.090248       0.4651756     9.320840       0.7254005     8.929194       0.6062360 
1 1 1 10 13 12 o 7.792494       0.4568702     8.209039       0.7350106     7.530223       0.5832274 
1 1 1 10 13 13 o -0.1552681     0.4184665     -0.5561802     0.6680476     0.1036268      0.5368397 
1 1 1 10 13 14 o 2.695221       0.4205245     2.628799       0.6819592     2.735973       0.5341731 
1 1 1 10 13 15 o 13.42006       0.4885988     13.58396       0.7711480     13.31013       0.6315409 
1 1 1 10 13 16 o 2.064487       0.4067315     1.516498       0.6832915     2.365207       0.5061756 
1 1 1 10 13 17 o 6.064575       0.4257674     6.728506       0.7072439     5.687183       0.5332164 
1 1 1 10 13 18 o 7.928748       0.4317240     7.335032       0.6949854     8.301819       0.5509120 
1 1 1 10 13 19 o 8.312524       0.4535525     8.901310       0.6850023     7.852901       0.6052213 
1 1 1 10 13 20 o 1.900679       0.4143630     2.308989       0.6483286     1.618716       0.5387615 
1 1 1 10 13 21 o 4.001769       0.4276231     3.969829       0.6452857     4.026779       0.5710049 
1 1 1 10 13 22 o 6.312074       0.4525639     5.808036       0.7163644     6.646854       0.5838243 
1 1 1 10 13 23 o 1.036088       0.4322217     1.499216       0.6698594     0.7057298      0.5657515 
1 1 1 10 13 24 o 0.5887505      0.4289797     0.4045822      0.6769121     0.7123573      0.5545568 
1 1 1 10 13 25 o 0.4658818      0.4491326     0.3633121E-01  0.6853552     0.7892088      0.5946065 
1 1 1 10 13 26 o 0.4999722      0.4245862     1.003490       0.5716304     -0.1196757     0.6341330 
1 1 1 10 13 27 o -0.1501333     0.4425275     -0.6340846     0.5938286     0.4542763      0.6636299 
1 1 1 10 13 28 o 0.5891014      0.4667017     0.6598291      0.6244025     0.4995713      0.7025123 
1 1 1 10 13 29 o 0.5316412      0.4735409     0.1293267      0.6428206     1.009029       0.7002327 
1 1 1 10 13 30 o 1.352987       0.4961800     1.663890       0.6557959     0.9367095      0.7588362 
1 1 1 10 14 0  o 0.2810591      0.5837852     0.2810591      0.4127985     ?              ?         
1 1 1 10 14 1  o 4.684866       0.4236546     3.797929       0.5870075     5.649104       0.6120530 
1 1 1 10 14 2  o 21.51157       0.5070073     21.69273       0.7104698     21.32358       0.7237478 
1 1 1 10 14 3  o 10.97915       0.4637196     11.57593       0.6830107     10.46882       0.6315995 
1 1 1 10 14 4  o 9.343409       0.4666237     9.459196       0.6976381     9.249674       0.6277000 
1 1 1 10 14 5  o 8.760411       0.4569758     8.827428       0.6845300     8.706534       0.6137679 
1 1 1 10 14 6  o 44.70465       0.6862155     44.67754       1.009619      44.72792       0.9355221 
1 1 1 10 14 7  o 20.38579       0.5307962     20.70006       0.7956952     20.13381       0.7124956 
1 1 1 10 14 8  o 18.80611       0.5155201     20.01826       0.7652611     17.79898       0.6975459 
1 1 1 10 14 9  o 15.00929       0.5539987     14.08675       0.8510131     15.68779       0.7298208 
1 1 1 10 14 10 f 21.93172       0.5660397     20.35506       0.8559372     23.15718       0.7546060 
1 1 1 10 14 11 o 27.47141       0.5943500     27.60525       0.8990039     27.36750       0.7921713 
1 1 1 10 14 12 f 12.69060       0.5370692     12.74941       0.7992632     12.64219       0.7251894 
1 1 1 10 14 13 o 4.880063       0.4592184     4.624518       0.7229968     5.052873       0.5945491 
1 1 1 10 14 14 o 2.187400       0.4455187     2.170509       0.7231741     2.197731       0.5655951 
1 1 1 10 14 15 o 16.34666       0.5069895     14.75567       0.8030170     17.40120       0.6537639 
1 1 1 10 14 16 o 5.901300       0.4344353     5.755824       0.7186613     5.985075       0.5453617 
1 1 1 10 14 17 o 7.357121       0.4399613     7.452929       0.7133391     7.298300       0.5589304 
1 1 1 10 14 18 o 3.860271       0.4088020     3.664620       0.6739354     3.974170       0.5142064 
1 1 1 10 14 19 o -0.6999369E-01 0.3954861     0.2384611      0.6636115     -0.2398884     0.4925021 
1 1 1 10 14 20 o 0.9177417      0.4360940     0.1569698      0.6717561     1.471913       0.5733321 
1 1 1 10 14 21 o 1.110377       0.4394268     2.175734       0.6802438     0.3474364      0.5756552 
1 1 1 10 14 22 o 3.253323       0.4675188     2.960724       0.7640907     3.428416       0.5910748 
1 1 1 10 14 23 o 2.622957       0.4432725     3.031706       0.7039509     2.354395       0.5706064 
1 1 1 10 14 24 o 0.1284963      0.4545209     0.2590754      0.7045815     0.3542538E-01  0.5948420 
1 1 1 10 14 25 o -0.5717447     0.4576564     -0.2124753     0.7233401     -0.8115649     0.5909835 
1 1 1 10 14 26 o -0.8327153E-01 0.4853992     0.6400916      0.7387275     -0.6328686     0.6439146 
1 1 1 10 14 27 o 0.3319636      0.4451015     1.034456       0.5913153     -0.5864469     0.6761090 
1 1 1 10 14 28 f 1.086236       0.4809359     1.630748       0.6489094     0.4226109      0.7163767 
1 1 1 10 14 29 o 0.7271479      0.4725452     0.2424188      0.6305367     1.348223       0.7137285 
1 1 1 10 14 30 o 0.2264594      0.4928945     0.5212803      0.6740096     -0.1124444     0.7226453 
1 1 1 10 15 0  f 145.2897       2.128841      145.2897       1.505318      ?              ?         
1 1 1 10 15 1  o 142.3235       1.475662      142.2424       2.089210      142.4043       2.084600  
1 1 1 10 15 2  o 112.5789       1.262754      112.3882       1.840613      112.7484       1.735616  
1 1 1 10 15 3  o 49.83723       0.7452837     51.21441       1.101172      48.67315       1.012396  
1 1 1 10 15 4  o 21.62615       0.5439023     20.67054       0.7957872     22.46390       0.7451003 
1 1 1 10 15 5  o 4.072395       0.4679849     4.001534       0.6876079     4.133544       0.6387506 
1 1 1 10 15 6  o 2.944404       0.4810586     2.027199       0.7179320     3.691765       0.6480600 
1 1 1 10 15 7  o 6.579780       0.4826988     6.116010       0.7189201     6.960467       0.6513491 
1 1 1 10 15 8  o 69.03585       0.9002737     69.89019       1.317911      68.28840       1.232714  
1 1 1 10 15 9  o 64.40406       0.8661138     63.95151       1.251831      64.81962       1.199579  
1 1 1 10 15 10 o 54.22718       0.8101798     51.57303       1.201419      56.44081       1.097196  
1 1 1 10 15 11 o 13.04378       0.5285894     12.60924       0.7927293     13.39165       0.7092879 
1 1 1 10 15 12 o 9.176937       0.4876654     7.803441       0.7522071     10.17280       0.6405068 
1 1 1 10 15 13 o 1.897518       0.4528668     2.017803       0.7253360     1.820673       0.5797502 
1 1 1 10 15 14 o 2.825777       0.4514896     3.167496       0.7360526     2.619649       0.5716667 
1 1 1 10 15 15 o 4.341140       0.4458800     4.774134       0.7314377     4.085086       0.5624728 
1 1 1 10 15 16 o 6.291885       0.4443498     5.872365       0.7283812     6.540564       0.5607914 
1 1 1 10 15 17 o 6.592921       0.4443486     6.422754       0.7286674     6.693664       0.5606584 
1 1 1 10 15 18 o 1.178932       0.4190407     0.8936847      0.6967216     1.340597       0.5245134 
1 1 1 10 15 19 o 1.769308       0.4171095     2.084903       0.6898508     1.587444       0.5236773 
1 1 1 10 15 20 o 0.8376693      0.4121149     1.237730       0.6700680     0.5942690      0.5226567 
1 1 1 10 15 21 o 3.908641       0.4596094     3.721323       0.7166382     4.039522       0.5990301 
1 1 1 10 15 22 o 3.296006       0.4661891     3.761426       0.7128006     2.948114       0.6162664 
1 1 1 10 15 23 o 0.3012777      0.4433874     0.5848513      0.6967332     0.1082731      0.5748010 
1 1 1 10 15 24 o -0.1410809E-01 0.4571851     -0.7359596     0.7399144     0.4316828      0.5814644 
1 1 1 10 15 25 o 2.439397       0.4883129     2.798123       0.7638859     2.191513       0.6349971 
1 1 1 10 15 26 o 2.729306       0.5055897     1.708785       0.7797225     3.469677       0.6641306 
1 1 1 10 15 27 o 1.965737       0.5176507     2.395814       0.7848879     1.634658       0.6886533 
1 1 1 10 15 28 f 0.5740839      0.5449286     -0.9291748E-02 0.8577639     0.9688585      0.7056157 
1 1 1 10 15 29 o 0.2666694      0.4887218     0.3166250E-01  0.6495240     0.5733424      0.7419809 
1 1 1 10 16 0  o 22.77094       1.038634      22.77094       0.7344254     ?              ?         
1 1 1 10 16 1  o 10.33604       0.5258853     10.16298       0.7762726     10.48282       0.7149363 
1 1 1 10 16 2  o 11.21872       0.5230066     11.96538       0.7776394     10.60203       0.7067222 
1 1 1 10 16 3  o 9.609526       0.5231324     9.732223       0.7711308     9.504912       0.7120392 
1 1 1 10 16 4  f 7.462492       0.5123754     7.286406       0.7664528     7.604765       0.6889451 
1 1 1 10 16 5  o 12.84800       0.5303277     13.09332       0.7645927     12.62055       0.7362059 
1 1 1 10 16 6  o 22.55543       0.5782923     21.34639       0.8558653     23.57112       0.7844509 
1 1 1 10 16 7  o 35.25322       0.6588759     33.93755       0.9589081     36.42993       0.9068521 
1 1 1 10 16 8  o 31.30424       0.6280435     31.16441       0.9116328     31.43056       0.8664630 
1 1 1 10 16 9  o 6.079921       0.4936993     7.017764       0.7172361     5.235448       0.6805964 
1 1 1 10 16 10 o 0.1593075      0.4613190     0.6063955      0.6600398     -0.2676726     0.6450263 
1 1 1 10 16 11 o 3.070576       0.4904120     3.191747       0.7376373     2.974590       0.6565224 
1 1 1 10 16 12 o 4.535170       0.4788408     4.605051       0.7357759     4.483828       0.6306747 
1 1 1 10 16 13 o 11.24675       0.5038939     11.25925       0.7846530     11.23798       0.6573546 
1 1 1 10 16 14 o 4.771872       0.4699951     4.689739       0.7476524     4.825535       0.6043351 
1 1 1 10 16 15 o 11.18978       0.4842758     10.69927       0.7924749     11.48212       0.6118002 
1 1 1 10 16 16 o 4.450119       0.4478352     4.773917       0.7184209     4.244336       0.5727271 
1 1 1 10 16 17 o -0.5628604     0.4221648     -0.5497439     0.6894525     -0.5707281     0.5339729 
1 1 1 10 16 18 o 2.135878       0.4280983     2.963577       0.7050614     1.652544       0.5387830 
1 1 1 10 16 19 o 1.352973       0.4273421     1.076128       0.6862677     1.528313       0.5461540 
1 1 1 10 16 20 o 2.791619       0.4349030     2.793465       0.7023590     2.790470       0.5538537 
1 1 1 10 16 21 o 1.007686       0.4268227     0.3956780      0.7037369     1.363820       0.5368320 
1 1 1 10 16 22 o 0.5182168      0.4580791     1.009268       0.7280974     0.1965067      0.5893303 
1 1 1 10 16 23 o 0.4701395      0.4741335     1.474498       0.7312177     -0.2584802     0.6228060 
1 1 1 10 16 24 o 0.1143437      0.4796027     0.1971879      0.7488825     0.5673992E-01  0.6244655 
1 1 1 10 16 25 o 0.1451531      0.4965941     0.6431704      0.7806097     -0.1934143     0.6436271 
1 1 1 10 16 26 o -0.4609649     0.5159218     0.3731542      0.7999001     -1.055139      0.6751163 
1 1 1 10 16 27 f 0.4668371      0.5270904     0.8170565      0.8190880     0.2193067      0.6886122 
1 1 1 10 16 28 o 0.6655653      0.5397074     0.7715214      0.8360322     0.5898579      0.7066904 
1 1 1 10 17 0  o 1.505395       0.7246122     1.505395       0.5123782     ?              ?         
1 1 1 10 17 1  o 19.10417       0.5724348     19.57521       0.8476915     18.70930       0.7761247 
1 1 1 10 17 2  o 29.57193       0.6297741     29.95142       0.9271338     29.24682       0.8581331 
1 1 1 10 17 3  o 9.057790       0.5234629     8.938003       0.7670681     9.162196       0.7161307 
1 1 1 10 17 4  o 17.07456       0.5696191     17.28478       0.8338899     16.89067       0.7799399 
1 1 1 10 17 5  o 8.002156       0.5117932     8.309121       0.7362461     7.715128       0.7119356 
1 1 1 10 17 6  o 11.67684       0.5226340     10.79629       0.7645760     12.44914       0.7160413 
1 1 1 10 17 7  o 0.3278366      0.4834414     0.2288200      0.7005663     0.4178550      0.6679762 
1 1 1 10 17 8  o 13.19533       0.5288106     13.22497       0.7666156     13.16843       0.7304003 
1 1 1 10 17 9  o 8.648065       0.5077860     7.744770       0.7231077     9.526850       0.7132300 
1 1 1 10 17 10 f 12.63291       0.5220024     11.95095       0.7595036     13.24345       0.7186362 
1 1 1 10 17 11 o 19.48490       0.5293428     19.27615       0.8082531     19.64169       0.7004702 
1 1 1 10 17 12 o 7.095080       0.5027110     7.661456       0.7877870     6.706013       0.6529324 
1 1 1 10 17 13 o 5.100390       0.4738672     5.023315       0.7588996     5.149646       0.6066713 
1 1 1 10 17 14 o 14.50799       0.5147536     13.96806       0.8044468     14.88235       0.6698417 
1 1 1 10 17 15 o 5.241993       0.4649561     4.427198       0.7587691     5.731904       0.5883614 
1 1 1 10 17 16 o 3.779679       0.4674868     3.993166       0.7425464     3.639499       0.6017012 
1 1 1 10 17 17 o 5.638304       0.4617155     5.820610       0.7450531     5.524640       0.5882983 
1 1 1 10 17 18 o 1.793646       0.4293939     1.908820       0.7276779     1.732117       0.5318633 
1 1 1 10 17 19 o 4.168241       0.4523435     4.264950       0.7645518     4.116156       0.5610821 
1 1 1 10 17 20 o 0.3246092      0.4351014     0.7426620      0.7204549     0.8459449E-01  0.5458962 
1 1 1 10 17 21 o 1.564928       0.4495484     0.9384845      0.7411031     1.929623       0.5654612 
1 1 1 10 17 22 o 0.6456198      0.4816247     1.381412       0.7510868     0.1317965      0.6276526 
1 1 1 10 17 23 o 2.540167       0.5054888     3.432177       0.7835448     1.904256       0.6615721 
1 1 1 10 17 24 f 1.328128       0.5141998     2.008949       0.8013968     0.8517041      0.6703910 
1 1 1 10 17 25 o 1.621353       0.5186983     2.995723       0.8122887     0.6750768      0.6740116 
1 1 1 10 17 26 o 3.865086       0.5502205     2.821765       0.8535786     4.606791       0.7196976 
1 1 1 10 17 27 o 3.444802       0.5574905     3.592321       0.8622447     3.338837       0.7307848 
1 1 1 10 18 0  o 27.66180       0.9224496     27.66180       0.6522704     ?              ?         
1 1 1 10 18 1  o 17.10529       0.5740436     17.15324       0.8561874     17.06613       0.7737048 
1 1 1 10 18 2  o 2.029766       0.5032334     2.399638       0.7459591     1.720846       0.6817292 
1 1 1 10 18 3  o 5.578036       0.5171717     4.967367       0.7721003     6.074986       0.6965094 
1 1 1 10 18 4  o 2.493226       0.4908653     2.974744       0.7059547     2.042523       0.6829913 
1 1 1 10 18 5  o 3.348257       0.4965226     2.335978       0.7049556     4.344799       0.6994546 
1 1 1 10 18 6  f 8.469189       0.5256491     8.009940       0.7702128     8.869584       0.7191695 
1 1 1 10 18 7  o 12.87008       0.5392349     12.24322       0.7872377     13.42415       0.7401274 
1 1 1 10 18 8  o 3.112134       0.4941890     2.658004       0.7247457     3.506780       0.6756156 
1 1 1 10 18 9  o 14.54971       0.5349036     14.15402       0.7543474     14.94988       0.7586066 
1 1 1 10 18 10 o 36.25797       0.6976888     36.24420       0.9672676     36.27290       1.007312  
1 1 1 10 18 11 o 16.01937       0.5118768     15.66967       0.7915295     16.27074       0.6710937 
1 1 1 10 18 12 f 2.820634       0.4537845     2.572926       0.6674859     3.033508       0.6187751 
1 1 1 10 18 13 o 1.305021       0.4613772     2.602410       0.7382497     0.4735314      0.5910121 
1 1 1 10 18 14 o 12.09041       0.5055758     12.75368       0.7962419     11.64237       0.6544238 
1 1 1 10 18 15 o 15.00773       0.5230240     14.66109       0.8241497     15.24148       0.6767714 
1 1 1 10 18 16 o 11.39053       0.5195081     11.82850       0.8296766     11.10807       0.6662950 
1 1 1 10 18 17 o 3.658588       0.4580129     3.163085       0.7427008     3.962671       0.5818183 
1 1 1 10 18 18 o 2.668719       0.4570743     3.202472       0.7577217     2.363401       0.5730813 
1 1 1 10 18 19 f -0.7219992     0.4618440     -0.7177624     0.7467896     -0.7246233     0.5877129 
1 1 1 10 18 20 o 0.6341252      0.4806884     0.3218378      0.7784775     0.8265628      0.6111022 
1 1 1 10 18 21 o 0.5072154      0.4626351     -0.2727427     0.7679101     0.9516007      0.5796350 
1 1 1 10 18 22 o 0.2176269      0.4876643     0.7456345      0.7870116     -0.1114572     0.6213188 
1 1 1 10 18 23 o 0.9865862      0.5173662     1.670856       0.8141468     0.5230938      0.6700548 
1 1 1 10 18 24 o 1.832890       0.5271086     1.975501       0.8432372     1.741425       0.6753095 
1 1 1 10 18 25 o 3.499583       0.5489725     3.779291       0.8549768     3.303370       0.7160864 
1 1 1 10 18 26 o 0.8098586      0.5479396     -0.7238221E-01 0.8440804     1.452411       0.7203518 
1 1 1 10 19 0  o 6.192294       0.7797228     6.192294       0.5513473     ?              ?         
1 1 1 10 19 1  f 3.054816       0.5340417     3.266555       0.7370765     2.820827       0.7748355 
1 1 1 10 19 2  o 0.8868273      0.4817713     0.8603439      0.6943885     0.9114079      0.6689770 
1 1 1 10 19 3  f 0.2343628E-01  0.4923497     -0.2458693     0.7320060     0.2459189      0.6653345 
1 1 1 10 19 4  o 0.1929538      0.4895974     -0.3380588     0.7186378     0.6529131      0.6688325 
1 1 1 10 19 5  o 3.647979       0.4863653     3.317324       0.7180002     3.928355       0.6611592 
1 1 1 10 19 6  o 4.183673       0.5024489     4.527337       0.7337826     3.880300       0.6894295 
1 1 1 10 19 7  f 2.442367       0.5034143     2.461129       0.7270473     2.425088       0.6977282 
1 1 1 10 19 8  o 1.709671       0.4933355     1.608128       0.7135826     1.802641       0.6827986 
1 1 1 10 19 9  o 4.224384       0.4897784     3.282727       0.7009732     5.122615       0.6846187 
1 1 1 10 19 10 o 8.056530       0.4991623     7.636577       0.7149172     8.455994       0.6972581 
1 1 1 10 19 11 f 16.29477       0.5064305     15.95530       0.7670280     16.55712       0.6743006 
1 1 1 10 19 12 o 12.70652       0.4844670     12.31197       0.7509412     12.98781       0.6340702 
1 1 1 10 19 13 o 9.341489       0.4849572     9.379901       0.7287293     9.310954       0.6497172 
1 1 1 10 19 14 o 4.922122       0.4820467     4.894273       0.7698226     4.940086       0.6182626 
1 1 1 10 19 15 o 0.4570893      0.4711392     0.4815909      0.7805858     0.4430483      0.5909116 
1 1 1 10 19 16 o 2.245093       0.4784899     2.895192       0.7881421     1.865603       0.6021642 
1 1 1 10 19 17 f 4.574929       0.4905208     4.280041       0.7950355     4.756176       0.6232960 
1 1 1 10 19 18 o 8.011344       0.5250193     8.509514       0.8256149     7.673117       0.6802878 
1 1 1 10 19 19 o 3.626983       0.4900244     4.091813       0.8106077     3.359293       0.6151497 
1 1 1 10 19 20 f 3.660732       0.4948420     3.896774       0.8232892     3.527226       0.6191657 
1 1 1 10 19 21 o 1.823357       0.5067719     2.571162       0.8171692     1.356023       0.6459980 
1 1 1 10 19 22 o 1.871849       0.5099397     1.513710       0.8344362     2.085329       0.6442384 
1 1 1 10 19 23 o 1.186315       0.5056906     0.2466426      0.8512525     1.698773       0.6286365 
1 1 1 10 19 24 o 0.4518315      0.5373468     -0.1607875     0.8635597     0.8389014      0.6864231 
1 1 1 10 19 25 o 0.3324105      0.5683861     1.131901       0.8662934     -0.2719056     0.7531655 
1 1 1 10 20 0  o 3.971346       0.7471725     3.971346       0.5283307     ?              ?         
1 1 1 10 20 1  o 4.629550       0.5448278     5.453726       0.7684809     3.796641       0.7725410 
1 1 1 10 20 2  o 8.529251       0.5517207     8.172253       0.7770767     8.892141       0.7834644 
1 1 1 10 20 3  o 7.169487       0.5092292     6.886489       0.7466757     7.415573       0.6962803 
1 1 1 10 20 4  o 1.065814       0.4760472     0.8854602      0.6713560     1.248199       0.6751248 
1 1 1 10 20 5  o 0.5446705      0.4633438     0.7724107      0.6691173     0.3348566      0.6422429 
1 1 1 10 20 6  o 6.735658       0.5001394     6.982201       0.7019073     6.481383       0.7128270 
1 1 1 10 20 7  o 8.087244       0.5148171     8.260012       0.7279150     7.914337       0.7282076 
1 1 1 10 20 8  o 6.494825       0.4971338     6.990282       0.7067446     6.009585       0.6994193 
1 1 1 10 20 9  o 2.074079       0.4846859     2.446309       0.6827070     1.695809       0.6882250 
1 1 1 10 20 10 f 0.4499038      0.4737965     0.4849031      0.6746787     0.4158487      0.6655142 
1 1 1 10 20 11 o 0.3752137      0.4488364     -0.3443329E-01 0.6801695     0.6911882      0.5973629 
1 1 1 10 20 12 o -0.3676959     0.4541415     0.3271389      0.6815230     -0.9226524     0.6090727 
1 1 1 10 20 13 o 2.483525       0.4669826     3.129103       0.7041129     1.976568       0.6239551 
1 1 1 10 20 14 o 0.5801733      0.4755602     1.498128       0.7759122     0.2786663E-01  0.6018553 
1 1 1 10 20 15 o 3.578471       0.4958504     3.795771       0.8128176     3.449670       0.6257804 
1 1 1 10 20 16 f 1.557204       0.4934886     2.264766       0.8088437     1.137642       0.6228464 
1 1 1 10 20 17 o 2.236963       0.5093977     2.580958       0.8182294     2.019258       0.6509283 
1 1 1 10 20 18 o 2.311477       0.5166441     2.326721       0.8176246     2.301345       0.6665835 
1 1 1 10 20 19 o 1.280055       0.5050454     1.638463       0.8135367     1.055311       0.6442174 
1 1 1 10 20 20 o 2.574309       0.5263231     3.710757       0.8460239     1.856768       0.6722507 
1 1 1 10 20 21 o 2.842293       0.5390055     3.112715       0.8584241     2.666281       0.6925483 
1 1 1 10 20 22 o 4.323362       0.5549212     4.368858       0.8778183     4.293078       0.7161767 
1 1 1 10 20 23 o 4.298891       0.5651853     3.447577       0.9198954     4.815125       0.7163372 
1 1 1 10 20 24 o 2.449756       0.5687800     2.585679       0.8793785     2.351995       0.7457830 
1 1 1 10 21 0  o -0.3595055E-01 0.6903009     -0.3595055E-01 0.4881165     ?              ?         
1 1 1 10 21 1  o 0.9120443      0.5119615     0.5834060      0.7208400     1.246552       0.7272484 
1 1 1 10 21 2  f 3.017911       0.5268073     3.044985       0.7405130     2.990167       0.7496063 
1 1 1 10 21 3  o 7.155671       0.5459202     7.901624       0.7693266     6.399069       0.7747980 
1 1 1 10 21 4  o 2.654800       0.5062741     2.808886       0.7306536     2.512500       0.7021558 
1 1 1 10 21 5  o 0.8954939      0.4924869     0.3383829      0.7239654     1.375366       0.6719077 
1 1 1 10 21 6  o 0.9409044      0.4987427     1.232148       0.7251238     0.6794268      0.6870709 
1 1 1 10 21 7  o 1.354321       0.4974291     1.785320       0.7064666     0.9305547      0.7005132 
1 1 1 10 21 8  f 1.178357       0.5003395     1.180706       0.7096921     1.176035       0.7055004 
1 1 1 10 21 9  o 2.643231       0.4988837     2.518531       0.7213442     2.757564       0.6907087 
1 1 1 10 21 10 o 1.892148       0.5038026     1.983628       0.7174965     1.803181       0.7075760 
1 1 1 10 21 11 o 3.822820       0.4638051     3.514051       0.7359659     4.026235       0.5973532 
1 1 1 10 21 12 o 7.094358       0.4909293     6.408160       0.7658022     7.573112       0.6396587 
1 1 1 10 21 13 o 7.870788       0.5060090     8.227517       0.7817386     7.613546       0.6638389 
1 1 1 10 21 14 o 4.992267       0.5005419     4.958732       0.7606910     5.017874       0.6647218 
1 1 1 10 21 15 f 2.622317       0.5189006     1.828261       0.8427866     3.107103       0.6585170 
1 1 1 10 21 16 o 0.8934690      0.5094284     1.649835       0.8348135     0.4447000      0.6430356 
1 1 1 10 21 17 f 0.1595184      0.5067582     -0.5041390     0.8002992     0.6037221      0.6547440 
1 1 1 10 21 18 o 0.9779205      0.5083076     1.428759       0.8277536     0.7049911      0.6440444 
1 1 1 10 21 19 o -0.5909122     0.5298737     -0.9462166     0.8653713     -0.3778015     0.6702006 
1 1 1 10 21 20 o -0.9514734E-01 0.5196182     -0.2791535     0.8584107     0.1126917E-01  0.6528050 
1 1 1 10 21 21 o 0.6412327      0.5302500     -0.7941273     0.8676891     1.496769       0.6698892 
1 1 1 10 21 22 o 0.3429156      0.5544166     0.5996577E-01  0.8912213     0.5215414      0.7081136 
1 1 1 10 21 23 o -0.2054693     0.5436759     -0.1771941     0.9070731     -0.2213222     0.6791964 
1 1 1 10 22 0  f 10.88241       0.8152636     10.88241       0.5764784     ?              ?         
1 1 1 10 22 1  o 6.115304       0.5436220     6.184715       0.7574500     6.041571       0.7806711 
1 1 1 10 22 2  o 5.142386       0.5361372     5.283544       0.7490199     4.994081       0.7677522 
1 1 1 10 22 3  o 0.6978406      0.5113027     0.5257174      0.7394080     0.8555667      0.7078092 
1 1 1 10 22 4  o 0.1316858E-01  0.5183416     -0.1472494     0.7245385     0.1813483      0.7418597 
1 1 1 10 22 5  f 0.7727739      0.4915556     1.295466       0.7111263     0.2945121      0.6802316 
1 1 1 10 22 6  o 1.579582       0.4929399     1.006571       0.7189579     2.087907       0.6771625 
1 1 1 10 22 7  o 1.315910       0.5073690     0.9211041      0.7343132     1.676573       0.7018437 
1 1 1 10 22 8  o 1.178300       0.5025887     1.529098       0.7008989     0.8070244      0.7210656 
1 1 1 10 22 9  o 1.884223       0.5053214     2.192989       0.7037890     1.555666       0.7259928 
1 1 1 10 22 10 o 2.837469       0.5201085     2.987883       0.7448898     2.694374       0.7265422 
1 1 1 10 22 11 o 1.186133       0.4724443     1.608812       0.7485299     0.9062598      0.6090944 
1 1 1 10 22 12 o 0.6876403      0.4585085     0.6260872      0.7496342     0.7244318      0.5795587 
1 1 1 10 22 13 o -0.8588028E-02 0.4813505     0.4147691E-01  0.7600631     -0.4211415E-01 0.6219772 
1 1 1 10 22 14 o 0.1955662      0.4874788     0.5001599      0.7645480     -0.1308964E-01 0.6327899 
1 1 1 10 22 15 o 0.3036430      0.4999870     0.9138791E-01  0.7644297     0.4623345      0.6609755 
1 1 1 10 22 16 o 0.6306792      0.5270871     0.5377469      0.8661002     0.6853437      0.6642591 
1 1 1 10 22 17 o 1.376761       0.5362564     2.277773       0.8592293     0.8018720      0.6863346 
1 1 1 10 22 18 o 1.086906       0.5410964     0.9007499      0.8684534     1.205027       0.6917834 
1 1 1 10 22 19 f -0.1845130     0.5381860     -0.4760661     0.8765132     -0.8079201E-02 0.6818524 
1 1 1 10 22 20 f 0.3518951      0.5457082     0.6185468      0.8833396     0.1873156      0.6939744 
1 1 1 10 22 21 o 0.3187320      0.5468407     0.2790057      0.8899493     0.3428296      0.6931282 
1 1 1 10 22 22 o -0.3051252     0.6343307     0.1861684      1.113833      -0.5409554     0.7717015 
1 1 1 10 23 0  o 0.5145316      0.8275302     0.5145316      0.5851522     ?              ?         
1 1 1 10 23 1  o 0.6075737      0.5391506     0.9674605      0.7737340     0.2678999      0.7516919 
1 1 1 10 23 2  o -0.4129287     0.5439743     -0.2541253     0.7684234     -0.5724553     0.7701712 
1 1 1 10 23 3  o -0.2895522     0.5379270     -0.5315470     0.7497425     -0.3281409E-01 0.7722438 
1 1 1 10 23 4  o 1.694783       0.5346733     2.082073       0.7643938     1.323777       0.7481522 
1 1 1 10 23 5  o 3.450030       0.5476753     4.013992       0.7587111     2.836453       0.7913811 
1 1 1 10 23 6  o 4.405272       0.5210680     5.031116       0.7768351     3.893392       0.7025540 
1 1 1 10 23 7  o 4.840117       0.5250044     4.666663       0.7362410     5.019566       0.7488564 
1 1 1 10 23 8  o 0.1568700      0.5034322     -0.4264936     0.7360597     0.6696329      0.6900834 
1 1 1 10 23 9  o 0.3527388      0.5205771     0.5188780      0.7455316     0.1946588      0.7272242 
1 1 1 10 23 10 o 2.992604       0.5282950     3.043679       0.7637107     2.945737       0.7315694 
1 1 1 10 23 11 o 5.298166       0.5007930     6.215856       0.7762079     4.643781       0.6554613 
1 1 1 10 23 12 o 5.621508       0.5068392     5.084015       0.7848163     6.006063       0.6638353 
1 1 1 10 23 13 o 4.493865       0.5082783     5.968968       0.8213745     3.578469       0.6470455 
1 1 1 10 23 14 o 0.7421228      0.5116645     0.1234585      0.7983702     1.173350       0.6665459 
1 1 1 10 23 15 o 0.8032244      0.5099003     0.3183264      0.8044553     1.128867       0.6592462 
1 1 1 10 23 16 o 1.959720       0.5358990     1.673782       0.8706559     2.134122       0.6799649 
1 1 1 10 23 17 o 1.180603       0.5502562     1.597417       0.8895858     0.9222956      0.7003005 
1 1 1 10 23 18 o 1.327549       0.5670531     0.5316502      0.9179397     1.818699       0.7210947 
1 1 1 10 23 19 o 0.6929877      0.5852143     0.3799603      0.9712667     0.8713989      0.7332606 
1 1 1 10 23 20 o 1.492370       0.5714246     2.966639       0.9400588     0.6284062      0.7196386 
1 1 1 10 24 0  o 2.407430       0.8057873     2.407430       0.5697777     ?              ?         
1 1 1 10 24 1  o 3.031182       0.5739824     3.300881       0.8071160     2.755221       0.8164315 
1 1 1 10 24 2  o 3.064261       0.5753824     3.014755       0.8011410     3.117002       0.8268974 
1 1 1 10 24 3  o 4.215569       0.5684434     4.738997       0.7982745     3.677122       0.8096468 
1 1 1 10 24 4  o 2.524914       0.5516453     2.648308       0.7649095     2.391175       0.7963273 
1 1 1 10 24 5  o 2.953118       0.5704072     2.696702       0.7939206     3.226704       0.8200699 
1 1 1 10 24 6  o 3.752322       0.5570912     4.380366       0.7899927     3.131059       0.7857166 
1 1 1 10 24 7  o 2.804779       0.5295070     3.181425       0.7566435     2.443288       0.7412654 
1 1 1 10 24 9  o 1.205911       0.5418878     1.717053       0.7968342     0.7661454      0.7391075 
1 1 1 10 24 10 o 0.3428557      0.4910479     -0.1724656     0.7717522     0.6933993      0.6365167 
1 1 1 10 24 11 o 0.5934336      0.5176234     1.242925       0.8245745     0.1710418      0.6649683 
1 1 1 10 24 12 o 2.527426       0.5151358     2.289416       0.8360711     2.673073       0.6540265 
1 1 1 10 24 13 o 2.498997       0.5305201     2.381199       0.8497000     2.574255       0.6791655 
1 1 1 10 24 14 f 2.580515       0.5342094     2.501509       0.8284025     2.636759       0.6989574 
1 1 1 10 24 15 o 0.9523895      0.5568635     1.141876       0.8598768     0.8155143      0.7308177 
1 1 1 10 24 16 o -0.1037530E-01 0.5634796     -0.6551524     0.8618280     0.4710552      0.7447022 
1 1 1 10 24 17 o 0.3471446      0.5837218     -0.5046777     0.9268531     0.9071062      0.7514766 
1 1 1 10 24 18 o -0.1017378     0.5804127     1.292490       0.9240991     -1.010081      0.7458930 
1 1 1 10 25 0  o 12.84441       0.8620498     12.84441       0.6095612     ?              ?         
1 1 1 10 25 1  o 9.396723       0.6215710     9.340061       0.8852836     9.451812       0.8729151 
1 1 1 10 25 2  o 8.402740       0.5944217     8.772083       0.8294210     8.012715       0.8523253 
1 1 1 10 25 3  o 6.171682       0.5972754     6.538078       0.8461570     5.807842       0.8432007 
1 1 1 10 25 4  f 7.584210       0.5975714     8.024559       0.8489798     7.151833       0.8412601 
1 1 1 10 25 5  o 4.232056       0.6060872     4.726912       0.8540284     3.729930       0.8602792 
1 1 1 10 25 6  f 2.223696       0.5971047     1.665043       0.8203220     2.853223       0.8708043 
1 1 1 10 25 7  o 1.210816       0.5667949     1.060957       0.7710668     1.386978       0.8360035 
1 1 1 10 25 8  o 2.430744       0.5721676     2.548773       0.8296386     2.323687       0.7901401 
1 1 1 10 25 9  o 1.592326       0.5869856     2.410999       0.8550358     0.8625696      0.8072681 
1 1 1 10 25 10 o 1.112744       0.5153682     -0.2460485     0.7958847     2.093913       0.6763092 
1 1 1 10 25 11 o 0.4344513E-01  0.5243897     0.6595756      0.8557319     -0.3270537     0.6635823 
1 1 1 10 25 12 o 1.335622       0.5562515     1.510551       0.8930078     1.224719       0.7110425 
1 1 1 10 25 13 o 1.382349       0.5459580     2.040839       0.8646263     0.9457034      0.7040746 
1 1 1 10 25 14 f 1.584615       0.5695882     2.433295       0.9065721     1.031108       0.7321364 
1 1 1 10 25 15 o 0.6838571      0.5851811     0.4631160      0.8867935     0.8541177      0.7788217 
1 1 1 10 25 16 o 2.487604       0.5717407     2.436911       0.8827085     2.524241       0.7504287 
1 1 1 10 26 0  o -0.4729011     0.8771814     -0.4729011     0.6202609     ?              ?         
1 1 1 10 26 1  o -0.2921198     0.5984554     0.2399684      0.8405741     -0.8390716     0.8522339 
1 1 1 10 26 2  o 1.711919       0.6119658     1.736182       0.8743662     1.688621       0.8568017 
1 1 1 10 26 3  o 3.365513       0.6193958     2.611327       0.8724372     4.131998       0.8795217 
1 1 1 10 26 4  o 4.060989       0.6148962     4.084294       0.8687820     4.037596       0.8704094 
1 1 1 10 26 5  o 5.096221       0.6317414     4.814130       0.8796175     5.396736       0.9078877 
1 1 1 10 26 6  o 3.985730       0.6336396     4.168417       0.8809523     3.789914       0.9120606 
1 1 1 10 26 7  o 2.215874       0.6182467     2.437273       0.8717484     1.991831       0.8769403 
1 1 1 10 26 8  o 2.905522       0.6037856     3.785546       0.8320644     1.926741       0.8775105 
1 1 1 10 26 9  o 2.829479       0.6467990     3.006267       0.8940485     2.635347       0.9368778 
1 1 1 10 26 10 f 3.428045       0.5701755     3.152524       0.8753296     3.631109       0.7514684 
1 1 1 10 26 11 o 5.081531       0.5813655     4.944190       0.9178326     5.173554       0.7512975 
1 1 1 10 26 12 o 3.274710       0.5758786     2.544952       0.9074509     3.766778       0.7451541 
1 1 1 10 26 13 f 2.193502       0.5778347     2.281263       0.9365140     2.139555       0.7342632 
1 1 1 10 26 14 o 1.901496       0.5831487     2.841613       0.9533048     1.339367       0.7371551 
1 1 1 10 27 0  o 0.9696706      0.8996453     0.9696706      0.6361453     ?              ?         
1 1 1 10 27 1  o 0.3858139      0.6126464     0.2154185      0.8505485     0.5695426      0.8831993 
1 1 1 10 27 2  o 0.8473296      0.6357669     0.3072201      0.9074838     1.367954       0.8909643 
1 1 1 10 27 3  o 4.077184       0.6594219     5.102407       0.9158797     2.973700       0.9501933 
1 1 1 10 27 4  f 5.592799       0.6554465     6.562988       0.9345865     4.653719       0.9194806 
1 1 1 10 27 5  o 5.523861       0.6696924     5.820724       0.9435170     5.222461       0.9507000 
1 1 1 10 27 6  o 2.559992       0.6454596     2.396776       0.8841671     2.746221       0.9444472 
1 1 1 10 27 7  o 0.9080381      0.6556851     1.035467       0.9164764     0.7744196      0.9384722 
1 1 1 10 27 8  o 0.2863418      0.6546330     0.2377939      0.9082366     0.3388333      0.9444042 
1 1 1 10 27 9  o 1.025001       0.6594212     0.2376234      0.9221050     1.849137       0.9433839 
1 1 1 10 27 10 o 0.9684103      0.5958179     0.8265013      0.8955014     1.081131       0.7981105 
1 1 1 10 28 0  o 2.612204       0.9483833     2.612204       0.6706083     ?              ?         
1 1 1 10 28 1  o 0.4848520      0.6341321     1.093983       0.9177027     -0.7177459E-01 0.8772604 
1 1 1 10 28 2  o 1.645906       0.6259056     1.482873       0.8575879     1.831736       0.9155840 
1 1 1 10 28 3  o 1.317555       0.6529891     0.4278669      0.9156458     2.238301       0.9314902 
1 1 1 10 28 4  o 0.9820551      0.6603029     0.6661120E-01  0.9284012     1.919145       0.9393131 
1 1 1 10 28 5  o 3.633519       0.6522521     3.834147       0.9361694     3.444256       0.9092662 
1 1 1 10 28 6  o 3.487023       0.6698697     2.712584       0.9523458     4.245387       0.9424099 
1 1 1 11 0  0  f -0.4761704     0.4690781     -0.4761704     0.3316883     ?              ?         
1 1 1 11 0  1  o 119.7087       1.800008      119.7087       1.272798      ?              ?         
1 1 1 11 0  2  o 1.264387       0.3390996     1.264387       0.2397797     ?              ?         
1 1 1 11 0  3  o 159.8309       2.269644      159.8309       1.604881      ?              ?         
1 1 1 11 0  4  o 0.9002437      0.3286485     0.9002437      0.2323896     ?              ?         
1 1 1 11 0  5  o 17.37645       0.4430156     17.37645       0.3132593     ?              ?         
1 1 1 11 0  6  o 56.09977       0.9016020     56.09977       0.6375289     ?              ?         
1 1 1 11 0  7  o 74.45628       1.126195      74.45628       0.7963404     ?              ?         
1 1 1 11 0  8  o 5.735118       0.3118376     5.735118       0.2205025     ?              ?         
1 1 1 11 0  9  o 0.5950961      0.2564718     0.5950961      0.1813529     ?              ?         
1 1 1 11 0  10 o 0.1788693      0.2808456     0.1788693      0.1985878     ?              ?         
1 1 1 11 0  11 o 40.53976       0.8616981     40.53976       0.6093125     ?              ?         
1 1 1 11 0  12 o 7.205550       0.3041442     7.205550       0.2150624     ?              ?         
1 1 1 11 0  13 o 6.451405       0.3057224     6.451405       0.2161784     ?              ?         
1 1 1 11 0  14 o 34.13993       0.6526856     34.13993       0.4615184     ?              ?         
1 1 1 11 0  15 o 21.76238       0.4981036     21.76238       0.3522125     ?              ?         
1 1 1 11 0  16 o 0.5560332      0.2843469     0.5560332      0.2010636     ?              ?         
1 1 1 11 0  17 o 0.1838969      0.3584752     0.1838969      0.2534803     ?              ?         
1 1 1 11 0  18 o 0.1360507      0.3864662     0.1360507      0.2732729     ?              ?         
1 1 1 11 0  19 f 1.527593       0.4310534     1.527593       0.3048008     ?              ?         
1 1 1 11 0  20 o 0.6428490      0.4557452     0.6428490      0.3222605     ?              ?         
1 1 1 11 0  21 o 5.601652       0.5043352     5.601652       0.3566188     ?              ?         
1 1 1 11 0  22 f 3.512620       0.4920390     3.512620       0.3479241     ?              ?         
1 1 1 11 0  23 o 18.54185       0.6452778     18.54185       0.4562803     ?              ?         
1 1 1 11 0  24 o 4.596311       0.5342009     4.596311       0.3777371     ?              ?         
1 1 1 11 0  25 o 7.822293       0.5818601     7.822293       0.4114372     ?              ?         
1 1 1 11 0  26 o 0.5532126      0.5409265     0.5532126      0.3824928     ?              ?         
1 1 1 11 0  27 o 2.365738       0.5682813     2.365738       0.4018356     ?              ?         
1 1 1 11 0  28 o 1.103307       0.5779250     1.103307       0.4086547     ?              ?         
1 1 1 11 0  29 o -0.7234538     0.6040767     -0.7234538     0.4271468     ?              ?         
1 1 1 11 0  30 o 0.5262514      0.6449447     0.5262514      0.4560447     ?              ?         
1 1 1 11 0  31 o 0.3604484      0.6706782     0.3604484      0.4742411     ?              ?         
1 1 1 11 0  32 f 0.4576159      0.6830452     0.4576159      0.4829859     ?              ?         
1 1 1 11 0  33 o 0.7899630E-01  0.7261564     0.7899630E-01  0.5134701     ?              ?         
1 1 1 11 0  34 o 1.448134       0.7884754     1.448134       0.5575363     ?              ?         
1 1 1 11 1  0  o 2.396255       0.3581755     2.396255       0.2532683     ?              ?         
1 1 1 11 1  1  o 261.3398       2.447900      258.8135       3.442635      263.9234       3.481396  
1 1 1 11 1  2  o 25.26232       0.4099964     24.88882       0.5826964     25.62855       0.5769907 
1 1 1 11 1  3  f 23.22735       0.3933900     22.92154       0.5566834     23.53240       0.5559923 
1 1 1 11 1  4  o 5.883483       0.2457717     6.224778       0.3383924     5.502460       0.3575453 
1 1 1 11 1  5  o 19.51174       0.3477813     19.36513       0.4738899     19.68287       0.5119911 
1 1 1 11 1  6  o 29.87615       0.4324142     28.54955       0.5825194     31.50433       0.6453477 
1 1 1 11 1  7  o 74.01660       0.7978073     73.36572       1.130581      74.66219       1.125973  
1 1 1 11 1  8  f 264.1875       2.287505      264.1275       3.240592      264.2471       3.229477  
1 1 1 11 1  9  o 177.7384       1.637827      178.3049       2.341725      177.1959       2.291564  
1 1 1 11 1  10 o 101.1820       1.054753      102.7810       1.541479      99.77422       1.446353  
1 1 1 11 1  11 o 32.78124       0.4560575     33.09953       0.6720258     32.50952       0.6209261 
1 1 1 11 1  12 o 139.9674       1.429438      139.5539       2.002669      140.3968       2.040935  
1 1 1 11 1  13 o 8.698457       0.2481131     8.658729       0.3430289     8.742044       0.3593064 
1 1 1 11 1  14 o 38.77200       0.5380701     38.34691       0.7501736     39.22242       0.7721965 
1 1 1 11 1  15 f 0.9226992      0.1710037     0.8336205      0.2034249     1.137277       0.3157257 
1 1 1 11 1  16 o 16.34347       0.3173348     15.91119       0.4163985     16.94235       0.4901177 
1 1 1 11 1  17 o 2.289491       0.2182782     2.396141       0.2691836     2.084716       0.3729981 
1 1 1 11 1  18 o 14.08420       0.3519650     13.68473       0.4908912     14.50682       0.5049123 
1 1 1 11 1  19 o 4.340694       0.3027483     4.410445       0.4165281     4.262575       0.4408040 
1 1 1 11 1  20 o 2.650880       0.3154899     2.609327       0.4271478     2.700757       0.4679834 
1 1 1 11 1  21 o 5.964639       0.3518660     6.346131       0.4887583     5.554189       0.5069684 
1 1 1 11 1  22 o 1.135233       0.3435566     1.097003       0.4712528     1.178601       0.5019210 
1 1 1 11 1  23 o 4.083614       0.3647507     4.149866       0.5083345     4.013303       0.5236785 
1 1 1 11 1  24 o 4.455507       0.3778117     3.994831       0.5233918     4.956719       0.5459337 
1 1 1 11 1  25 o 1.626112       0.3741920     2.075064       0.5131523     1.116306       0.5468262 
1 1 1 11 1  26 o 0.2641343      0.3803288     0.5064219      0.5258877     -0.1558107E-02 0.5507024 
1 1 1 11 1  27 o 0.3177641      0.4028787     0.3647349      0.5569426     0.2662075      0.5834976 
1 1 1 11 1  28 o 3.032783       0.4314647     3.162133       0.5932321     2.887515       0.6286757 
1 1 1 11 1  29 f 1.511976       0.4359441     1.432659       0.6107436     1.594365       0.6224595 
1 1 1 11 1  30 o 0.5194213      0.4510741     0.8245226      0.6394228     0.2171809      0.6364180 
1 1 1 11 1  31 f 2.130213       0.4899869     0.2007777      0.6783586     4.235019       0.7085170 
1 1 1 11 1  32 f 0.2815292      0.4896490     0.3569756      0.6853608     0.2028700      0.6998014 
1 1 1 11 1  33 o 1.067883       0.5122386     0.5538516      0.7146720     1.610932       0.7345672 
1 1 1 11 1  34 o 0.8847485      0.5702108     0.8561340      0.7670442     0.9200949      0.8525095 
1 1 1 11 2  0  o 77.28575       1.264125      77.28575       0.8938712     ?              ?         
1 1 1 11 2  1  f 16.06546       0.3405867     16.04349       0.4834118     16.08711       0.4799317 
1 1 1 11 2  2  o 352.9203       3.089377      351.3531       4.257549      354.6631       4.489772  
1 1 1 11 2  3  o 47.29889       0.5908756     45.73895       0.8041818     49.12910       0.8710688 
1 1 1 11 2  4  o 207.1719       1.964407      205.6862       2.716636      208.8001       2.843914  
1 1 1 11 2  5  o 29.27825       0.4336501     29.74278       0.5982566     28.76397       0.6294817 
1 1 1 11 2  6  o 203.3225       1.923172      204.1055       2.665391      202.4723       2.777632  
1 1 1 11 2  7  o 60.95358       0.7093099     62.89468       0.9824609     58.84020       1.025130  
1 1 1 11 2  8  o 129.8606       1.232708      133.4553       1.812405      126.7663       1.681562  
1 1 1 11 2  9  o 30.06245       0.4129802     30.52865       0.6440791     29.73697       0.5381703 
1 1 1 11 2  10 o 38.33403       0.5266009     37.72581       0.7382223     38.96416       0.7514049 
1 1 1 11 2  11 f 92.50195       1.020914      91.06132       1.405892      94.10913       1.484929  
1 1 1 11 2  12 o 33.18072       0.5872933     33.27213       0.8960493     33.11189       0.7776040 
1 1 1 11 2  13 o 23.41064       0.4950990     24.48374       0.7855347     22.70344       0.6377052 
1 1 1 11 2  14 o 95.53823       1.237054      96.79105       1.861783      94.54791       1.655284  
1 1 1 11 2  15 o 81.23582       1.104651      81.57520       1.656045      80.96377       1.482712  
1 1 1 11 2  16 o 76.65292       1.120522      76.94883       1.588907      76.36014       1.580442  
1 1 1 11 2  17 o 0.9244671      0.4310425     1.174414       0.6414510     0.7186748      0.5820423 
1 1 1 11 2  18 o 24.41531       0.4582861     23.72545       0.6030946     25.35801       0.7050006 
1 1 1 11 2  19 o 17.69586       0.3876944     17.02661       0.5375212     18.42153       0.5597176 
1 1 1 11 2  20 o 2.539522       0.2904048     2.605117       0.3903969     2.458260       0.4345273 
1 1 1 11 2  21 o 0.9987913      0.3095027     1.561866       0.4246567     0.3607847      0.4520304 
1 1 1 11 2  22 o 4.549791       0.3430154     4.828190       0.4725558     4.239744       0.4986929 
1 1 1 11 2  23 o 1.092263       0.3354463     1.167728       0.4649599     1.010346       0.4844239 
1 1 1 11 2  24 o 1.602629       0.3858468     1.601584       0.4974554     1.604207       0.6113155 
1 1 1 11 2  25 o 2.891784       0.3707764     2.412669       0.5115599     3.422031       0.5381654 
1 1 1 11 2  26 o 0.6341184E-01  0.3767018     -0.2981404     0.5190347     0.4658328      0.5475845 
1 1 1 11 2  27 o 0.5646898      0.3886130     0.3371958      0.5262630     0.8375037      0.5763032 
1 1 1 11 2  28 o -0.2193661     0.4231850     -0.5324236     0.5800318     0.1369326      0.6187952 
1 1 1 11 2  29 o 0.4850509E-01  0.4276443     0.1562052      0.5793430     -0.8043132E-01 0.6338923 
1 1 1 11 2  30 f 1.286623       0.4555036     1.227954       0.6404165     1.346691       0.6480092 
1 1 1 11 2  31 o 0.1331462      0.4681811     0.6005947E-01  0.6530163     0.2104497      0.6715903 
1 1 1 11 2  32 o 0.8505417      0.4936383     -0.2447932     0.6771048     2.093184       0.7211998 
1 1 1 11 2  33 o 0.1129536      0.5044064     0.4022184      0.7051997     -0.1900610     0.7217655 
1 1 1 11 2  34 o -0.8237419     0.8835492     -1.257070      1.275287      -0.4237389     1.225268  
1 1 1 11 3  0  o 8.073045       0.4113852     8.073045       0.2908933     ?              ?         
1 1 1 11 3  1  o 19.39533       0.3598341     19.07478       0.4933190     19.75979       0.5260180 
1 1 1 11 3  2  o 2.361153       0.2520672     2.563752       0.3443623     2.127306       0.3699670 
1 1 1 11 3  3  o 116.8508       1.220615      118.4493       1.687896      115.0985       1.767258  
1 1 1 11 3  4  o 159.4981       1.599510      161.0193       2.194482      157.7740       2.336267  
1 1 1 11 3  5  o 19.94312       0.3610709     21.12371       0.4979089     18.63366       0.5243818 
1 1 1 11 3  6  o 6.975068       0.2638005     7.146543       0.3651852     6.787941       0.3814892 
1 1 1 11 3  7  o 18.02608       0.3299432     17.40634       0.4681029     18.63797       0.4651316 
1 1 1 11 3  8  o 31.73023       0.4423373     31.54015       0.6290618     31.91614       0.6221150 
1 1 1 11 3  9  o 42.52932       0.5282338     42.14460       0.8081549     42.81628       0.6979697 
1 1 1 11 3  10 o 349.8193       3.079017      351.5640       4.464095      348.2362       4.252390  
1 1 1 11 3  11 o 55.91838       0.8257596     57.56459       1.245372      54.62675       1.103125  
1 1 1 11 3  12 o 72.05985       0.9974326     73.33849       1.490663      71.02330       1.342161  
1 1 1 11 3  13 o 12.69591       0.4255432     13.09898       0.6764475     12.43192       0.5474377 
1 1 1 11 3  14 o 99.74183       1.302256      99.77933       1.941002      99.71114       1.756175  
1 1 1 11 3  15 o 3.244021       0.3879314     2.962533       0.6338530     3.412603       0.4905299 
1 1 1 11 3  16 o 12.91079       0.5056537     13.31926       0.7272648     12.52855       0.7035303 
1 1 1 11 3  17 o 26.94565       0.6385849     26.89447       0.9145916     26.99433       0.8920223 
1 1 1 11 3  18 o 16.16990       0.6465799     16.68184       0.9409227     15.71187       0.8900043 
1 1 1 11 3  19 o 6.954265       0.2374087     6.502822       0.2737661     8.323359       0.4767549 
1 1 1 11 3  20 o 11.45101       0.3640020     12.09350       0.4691726     10.47951       0.5769272 
1 1 1 11 3  21 o 6.604102       0.3152640     6.041479       0.4196021     7.333416       0.4777345 
1 1 1 11 3  22 o 0.8753086      0.3007106     1.010920       0.3977579     0.6943989      0.4594120 
1 1 1 11 3  23 o 1.004688       0.3206095     0.3465356      0.4253575     1.870481       0.4878628 
1 1 1 11 3  24 o 1.314216       0.3412867     1.473717       0.4514804     1.101550       0.5213233 
1 1 1 11 3  25 o 2.953284       0.3593603     3.109285       0.4798222     2.753996       0.5423221 
1 1 1 11 3  26 o 1.520119       0.3847376     1.721872       0.5109419     1.255924       0.5846859 
1 1 1 11 3  27 o 1.729672       0.3925487     1.924270       0.5210569     1.474263       0.5969443 
1 1 1 11 3  28 o 1.169653       0.4081640     1.526662       0.5346317     0.6708251      0.6319618 
1 1 1 11 3  29 o 2.435324       0.4346119     1.497412       0.5822961     3.614964       0.6530368 
1 1 1 11 3  30 o 0.4936258      0.4317442     0.3564407      0.5764673     0.6688808      0.6515630 
1 1 1 11 3  31 o -0.3180080     0.4617507     -0.2354188     0.6172910     -0.4229279     0.6957560 
1 1 1 11 3  32 o 0.1609317      0.4852604     -0.5654368E-01 0.6406695     0.4535974      0.7432158 
1 1 1 11 3  33 o 1.022238       0.5021677     0.9520988      0.6741476     1.109667       0.7526672 
1 1 1 11 4  0  o 0.1297431      0.3393292     0.1297431      0.2399420     ?              ?         
1 1 1 11 4  1  f 10.34446       0.2948415     9.281903       0.4101229     11.48104       0.4241695 
1 1 1 11 4  2  o 24.94825       0.4093451     23.22128       0.5497499     27.09717       0.6132437 
1 1 1 11 4  3  o 71.90907       0.8237588     71.64131       1.131529      72.21099       1.201565  
1 1 1 11 4  4  o 69.93581       0.8067016     68.21624       1.099878      71.93780       1.186767  
1 1 1 11 4  5  o 117.5636       1.199814      120.0280       1.709990      115.1739       1.683897  
1 1 1 11 4  6  o 110.3679       1.136539      112.1650       1.619123      108.6223       1.595749  
1 1 1 11 4  7  o 41.22625       0.5320336     41.87386       0.7568107     40.59348       0.7480836 
1 1 1 11 4  8  o 84.49549       0.9065045     87.63665       1.303517      81.55358       1.261498  
1 1 1 11 4  9  f 120.2090       1.245666      121.7636       1.855990      118.9348       1.680352  
1 1 1 11 4  10 o 151.9340       1.571170      152.8342       2.198643      150.9946       2.246055  
1 1 1 11 4  11 o 29.76177       0.6704455     30.30085       0.9043671     29.10400       0.9989843 
1 1 1 11 4  12 o 51.87941       0.8046542     50.70117       1.205846      52.82520       1.080371  
1 1 1 11 4  13 f 14.22628       0.4621374     13.18370       0.7288308     14.92731       0.5976426 
1 1 1 11 4  14 f 28.66487       0.5895351     27.37916       0.9033797     29.61857       0.7780457 
1 1 1 11 4  15 f 18.71769       0.5171383     17.41534       0.8073073     19.62395       0.6734464 
1 1 1 11 4  16 o 8.274972       0.5036321     8.439526       0.7349586     8.129298       0.6915119 
1 1 1 11 4  17 o 11.42406       0.5401751     10.01425       0.7771339     12.74192       0.7513635 
1 1 1 11 4  18 o 48.35379       0.8747830     47.72775       1.246354      48.96164       1.228108  
1 1 1 11 4  19 f 16.67998       0.6382833     16.57124       0.9594790     16.76630       0.8548855 
1 1 1 11 4  20 o 35.86119       0.5677045     35.28518       0.7234807     36.78416       0.9158081 
1 1 1 11 4  21 o 12.85648       0.3391506     13.25829       0.4388459     12.26061       0.5344147 
1 1 1 11 4  22 o 12.48244       0.3555854     12.72043       0.4604154     12.13066       0.5597647 
1 1 1 11 4  23 o 0.3868791      0.3105980     0.2683267      0.4017815     0.5629470      0.4896377 
1 1 1 11 4  24 f 0.8520306E-02  0.3293427     -0.4292916     0.4317018     0.6181231      0.5094054 
1 1 1 11 4  25 o 1.741495       0.3522048     2.238573       0.4636556     1.063362       0.5415531 
1 1 1 11 4  26 o 10.35220       0.4333095     10.57449       0.5925743     10.09675       0.6352316 
1 1 1 11 4  27 o 1.647710       0.3889995     1.582809       0.5226559     1.728310       0.5824447 
1 1 1 11 4  28 o 4.288883       0.4426233     4.648507       0.5585768     3.681990       0.7256293 
1 1 1 11 4  29 o 0.5649648      0.4232936     1.194705       0.5555900     -0.3063312     0.6535167 
1 1 1 11 4  30 o 0.1949601      0.4493064     0.4516632      0.6037988     -0.1235605     0.6725824 
1 1 1 11 4  31 f 1.269287       0.4607452     1.135206       0.6147299     1.441162       0.6959952 
1 1 1 11 4  32 o 0.9972969      0.4855697     0.8123924      0.6407808     1.246673       0.7441542 
1 1 1 11 4  33 o 0.6400032      0.4984941     0.2699569      0.6623649     1.123390       0.7570363 
1 1 1 11 5  0  o 49.34457       0.8631588     49.34457       0.6103454     ?              ?         
1 1 1 11 5  1  o 96.10550       1.015991      94.61332       1.430306      97.62521       1.443439  
1 1 1 11 5  2  o 167.0287       1.637252      169.0727       2.325237      165.0188       2.305736  
1 1 1 11 5  3  o 156.5962       1.500776      155.9074       2.176477      157.2206       2.072198  
1 1 1 11 5  4  o 67.88583       0.7748517     67.55128       1.095186      68.22112       1.096426  
1 1 1 11 5  5  o 87.49142       1.048646      90.24464       1.450119      84.47345       1.518244  
1 1 1 11 5  6  o 45.46949       0.5786025     45.67448       0.8251625     45.27121       0.8115425 
1 1 1 11 5  7  o 39.01572       0.5204185     40.61814       0.7461049     37.49741       0.7262619 
1 1 1 11 5  8  f 37.52489       0.5207111     38.23006       0.7722133     36.93690       0.7051421 
1 1 1 11 5  9  o 7.173068       0.2730961     7.070032       0.4076853     7.256938       0.3678170 
1 1 1 11 5  10 o 149.1111       1.545525      149.6432       2.236211      148.6244       2.138469  
1 1 1 11 5  11 o 84.79810       0.9561988     84.28918       1.387193      85.25882       1.319857  
1 1 1 11 5  12 o 21.50815       0.5358581     22.60968       0.8395157     20.75081       0.6961073 
1 1 1 11 5  13 o 3.061519       0.4153207     2.480531       0.6617151     3.439154       0.5334873 
1 1 1 11 5  14 o 13.12972       0.4770811     12.70557       0.7760781     13.38737       0.6048686 
1 1 1 11 5  15 o 11.58317       0.5249977     11.87482       0.7746251     11.33540       0.7139933 
1 1 1 11 5  16 o 15.52069       0.5743712     14.60107       0.8190403     16.41059       0.8056912 
1 1 1 11 5  17 o 17.51372       0.6056702     16.95098       0.8776031     18.02552       0.8369372 
1 1 1 11 5  18 f 3.126791       0.5343683     3.048286       0.7841557     3.194856       0.7301528 
1 1 1 11 5  19 f 12.49763       0.6037549     12.35206       0.8801489     12.62701       0.8297547 
1 1 1 11 5  20 o 8.058225       0.3097439     8.191404       0.3952419     7.846237       0.4986522 
1 1 1 11 5  21 o 6.197265       0.2854485     5.986692       0.3362084     6.740998       0.5402567 
1 1 1 11 5  22 o 4.162848       0.2764667     4.393641       0.3421059     3.728385       0.4693819 
1 1 1 11 5  23 o 11.85877       0.3632607     11.48473       0.4653410     12.44231       0.5812268 
1 1 1 11 5  24 o 2.486953       0.3053384     2.186250       0.3768516     3.061611       0.5209619 
1 1 1 11 5  25 o 0.2946032      0.3076190     0.3230149      0.3789476     0.2397027      0.5267676 
1 1 1 11 5  26 o 2.543505       0.3415512     2.676149       0.4305131     2.318217       0.5610656 
1 1 1 11 5  27 o 0.6343973      0.3794470     0.3640789      0.4964893     1.014029       0.5883738 
1 1 1 11 5  28 o 3.842785       0.4110279     3.319280       0.5431843     4.544129       0.6287122 
1 1 1 11 5  29 o 0.9960469      0.4274664     0.6055232      0.5654660     1.516826       0.6529948 
1 1 1 11 5  30 o -0.3063625E-01 0.4393125     -0.4468258E-01 0.5774503     -0.1133533E-01 0.6768963 
1 1 1 11 5  31 o 0.9754531      0.4608595     1.262337       0.6169933     0.6133883      0.6931397 
1 1 1 11 5  32 o -0.3009644E-01 0.4779390     -0.6714827     0.6314304     0.8303109      0.7313374 
1 1 1 11 5  33 o 0.2984976      0.4880356     0.5190257E-01  0.6509554     0.6150118      0.7374893 
1 1 1 11 6  0  o 52.35419       0.9139285     52.35419       0.6462451     ?              ?         
1 1 1 11 6  1  o 68.43034       0.7876052     68.38862       1.116346      68.47168       1.111355  
1 1 1 11 6  2  o 64.23434       0.7325360     62.94917       1.060531      65.40695       1.013026  
1 1 1 11 6  3  f 36.41010       0.5012528     36.29995       0.7328026     36.50694       0.6871543 
1 1 1 11 6  4  o 22.36248       0.3907971     21.77740       0.5653865     22.89773       0.5407757 
1 1 1 11 6  5  f 1.416366       0.2606531     1.451928       0.3800372     1.384778       0.3581720 
1 1 1 11 6  6  o 48.55724       0.6109498     47.03935       0.8614963     50.09300       0.8665527 
1 1 1 11 6  7  o 13.62853       0.3298515     13.07966       0.4668434     14.17570       0.4661183 
1 1 1 11 6  8  o 128.3779       1.357952      131.0447       2.009252      126.1354       1.842441  
1 1 1 11 6  9  o 128.4345       1.354043      128.8497       1.989127      128.0761       1.848418  
1 1 1 11 6  10 o 180.6720       1.793836      181.3735       2.659075      180.0860       2.430095  
1 1 1 11 6  11 o 85.33247       0.9928470     87.02161       1.436754      83.78864       1.373571  
1 1 1 11 6  12 o 142.8611       1.481557      140.0167       2.151849      145.4246       2.042873  
1 1 1 11 6  13 o 52.42728       0.8425366     49.48939       1.255555      54.83398       1.136391  
1 1 1 11 6  14 o 10.11343       0.4853183     9.678337       0.7773864     10.39130       0.6212561 
1 1 1 11 6  15 o 21.17958       0.6177199     21.20100       0.8897897     21.15966       0.8582399 
1 1 1 11 6  16 o 2.338805       0.5291107     1.925835       0.7645922     2.718312       0.7329608 
1 1 1 11 6  17 f 18.94923       0.6429072     19.00072       0.9141810     18.89885       0.9043155 
1 1 1 11 6  18 o 3.697260       0.5736559     3.273219       0.8523895     4.048326       0.7755830 
1 1 1 11 6  19 o 10.75427       0.6173028     11.37773       0.9233373     10.25038       0.8300854 
1 1 1 11 6  20 o 9.279974       0.3448784     8.751810       0.4450991     10.07344       0.5455524 
1 1 1 11 6  21 f 12.78940       0.3420787     12.74723       0.4473600     12.84877       0.5308214 
1 1 1 11 6  22 o 4.689568       0.2874672     4.552685       0.3616007     4.924651       0.4738766 
1 1 1 11 6  23 o 3.566813       0.2981864     3.417473       0.3728724     3.831756       0.4966474 
1 1 1 11 6  24 o 0.4413482      0.2966295     0.2326654      0.3640098     0.8538427      0.5117746 
1 1 1 11 6  25 o 1.866073       0.3160205     2.169887       0.3932922     1.312493       0.5308861 
1 1 1 11 6  26 o 2.629627       0.3445659     2.806807       0.4269595     2.298712       0.5834950 
1 1 1 11 6  27 f 2.331087       0.3677777     2.588644       0.4617383     1.884122       0.6082694 
1 1 1 11 6  28 o 0.3317346      0.3693776     0.6328098      0.4607787     -0.2096489     0.6178846 
1 1 1 11 6  29 o 0.7163762      0.3928572     1.157101       0.4951020     -0.3283248E-01 0.6455237 
1 1 1 11 6  30 o 0.8127865      0.4200364     0.3438781      0.5301676     1.603346       0.6883929 
1 1 1 11 6  31 f 0.4729036      0.4208966     0.1149393      0.5266691     1.105619       0.7002003 
1 1 1 11 6  32 o -0.1150262     0.4463178     0.2556504      0.5612517     -0.7526440     0.7361059 
1 1 1 11 6  33 o -0.2385512     0.4892437     0.3454775      0.6429661     -1.041745      0.7540171 
1 1 1 11 7  0  o 164.0603       2.196228      164.0603       1.552967      ?              ?         
1 1 1 11 7  1  f 116.3137       1.190794      118.5292       1.742400      114.3721       1.631170  
1 1 1 11 7  2  o 111.9227       1.151488      112.2237       1.675394      111.6533       1.585242  
1 1 1 11 7  3  o 133.0203       1.330898      131.0403       1.925589      134.8313       1.841569  
1 1 1 11 7  4  o 192.2271       1.828986      191.6507       2.649316      192.7520       2.528093  
1 1 1 11 7  5  f 232.5828       2.156914      231.6075       3.127324      233.4676       2.978768  
1 1 1 11 7  6  o 184.5450       1.773939      187.5225       2.591072      181.9181       2.433767  
1 1 1 11 7  7  o 201.8474       1.970603      201.3977       2.981915      202.1960       2.625661  
1 1 1 11 7  8  o 163.9306       1.673272      168.9476       2.493986      159.8236       2.256521  
1 1 1 11 7  9  o 92.68252       1.055000      94.69890       1.567331      91.01204       1.426574  
1 1 1 11 7  10 o 113.0387       1.239388      115.8424       1.837813      110.7000       1.678518  
1 1 1 11 7  11 o 72.72038       0.8739663     73.66928       1.298491      71.93449       1.181698  
1 1 1 11 7  12 f 14.47752       0.3237078     13.41234       0.5210441     15.14708       0.4131041 
1 1 1 11 7  13 o 48.79388       0.6495060     49.17411       0.9745609     48.49002       0.8711880 
1 1 1 11 7  14 o 56.50909       0.7446310     56.17380       1.065166      56.82958       1.041372  
1 1 1 11 7  15 o 12.59588       0.3464335     12.04651       0.4529724     13.37004       0.5377172 
1 1 1 11 7  16 o 22.23687       0.6692955     21.81294       0.9696557     22.62263       0.9249778 
1 1 1 11 7  17 o -1.443221      0.3136678     2.495378       0.8416920     -2.078421      0.3380163 
1 1 1 11 7  18 o 14.02771       0.3856899     13.83855       0.5046648     14.29335       0.5980426 
1 1 1 11 7  19 o 0.2348696      0.2767867     0.4517206      0.3633068     -0.6510928E-01 0.4273053 
1 1 1 11 7  20 o 1.046523       0.2834971     1.397830       0.4014056     0.6968933      0.4004470 
1 1 1 11 7  21 f 2.207901       0.3086072     2.124653       0.4452201     2.284888       0.4281531 
1 1 1 11 7  22 o 6.259330       0.3100603     6.012297       0.3983451     6.639064       0.4938804 
1 1 1 11 7  23 o 10.44990       0.3600889     10.08661       0.4652912     10.99239       0.5685843 
1 1 1 11 7  24 f 1.329151       0.3027987     1.236884       0.3777125     1.495093       0.5065438 
1 1 1 11 7  25 o 0.4762629      0.3162955     0.4744341      0.3947450     0.4795429      0.5286490 
1 1 1 11 7  26 o 1.148447       0.3383883     1.192909       0.4231625     1.069588       0.5635612 
1 1 1 11 7  27 o 1.265303       0.3603720     1.490919       0.4519308     0.8713415      0.5971920 
1 1 1 11 7  28 f 5.198033       0.3980852     5.323867       0.5028720     4.986813       0.6515206 
1 1 1 11 7  29 o 3.590740       0.4074722     3.159798       0.5173767     4.294669       0.6612438 
1 1 1 11 7  30 o 1.040883       0.4184887     1.387695       0.5342802     0.4903337      0.6731634 
1 1 1 11 7  31 o 0.2410861      0.4322096     0.5526713      0.5488498     -0.2675672     0.7012551 
1 1 1 11 7  32 o 0.2002594      0.4328117     0.8955945E-01  0.5411262     0.3968340      0.7210886 
1 1 1 11 7  33 f -0.4287346     0.5181318     -0.6833011     0.6400021     0.5546565E-01  0.8826597 
1 1 1 11 8  0  o 6.985848       0.4393303     6.985848       0.3106534     ?              ?         
1 1 1 11 8  1  o 76.90401       0.8335674     76.94678       1.179490      76.86133       1.178195  
1 1 1 11 8  2  o 24.91473       0.4278547     24.43203       0.6223860     25.34724       0.5891380 
1 1 1 11 8  3  o 35.11816       0.5081503     35.30284       0.7413161     34.95448       0.6979125 
1 1 1 11 8  4  o 210.1397       1.998281      210.1993       2.915364      210.0868       2.744372  
1 1 1 11 8  5  o 203.6541       1.939789      201.0646       2.808824      206.0153       2.682112  
1 1 1 11 8  6  o 256.9733       2.391876      254.7765       3.474928      258.9513       3.297306  
1 1 1 11 8  7  o 84.25752       0.9557583     83.06990       1.442804      85.18618       1.275837  
1 1 1 11 8  8  o 136.6966       1.431093      136.2593       2.154651      137.0419       1.914337  
1 1 1 11 8  9  o 127.7257       1.349010      129.7137       2.044416      126.1926       1.795337  
1 1 1 11 8  10 o 33.05004       0.5408725     33.26413       0.8061078     32.87473       0.7294437 
1 1 1 11 8  11 f 59.48436       0.7706105     60.73899       1.138198      58.42251       1.047107  
1 1 1 11 8  12 o 43.49333       0.5991099     45.28924       0.9399646     42.26456       0.7775056 
1 1 1 11 8  13 o 16.05179       0.3633063     15.74110       0.5811327     16.25113       0.4654855 
1 1 1 11 8  14 f 1.411177       0.2500763     0.8910393      0.4333306     1.670912       0.3062140 
1 1 1 11 8  15 o 4.020325       0.2991457     4.259310       0.4569362     3.841064       0.3957433 
1 1 1 11 8  16 o 4.468015       0.3007509     4.478690       0.4597306     4.460029       0.3976448 
1 1 1 11 8  17 o 2.583788       0.2992839     2.212353       0.4428756     2.895982       0.4060240 
1 1 1 11 8  18 o 7.173954       0.3444952     7.138359       0.5113444     7.203536       0.4661637 
1 1 1 11 8  19 o 12.73443       0.3968280     12.20393       0.5698816     13.23380       0.5529026 
1 1 1 11 8  20 o 2.240951       0.3250332     2.394886       0.4719980     2.102115       0.4482535 
1 1 1 11 8  21 o 2.119049       0.3375507     2.798999       0.4892452     1.501335       0.4663172 
1 1 1 11 8  22 o 3.243194       0.3569282     3.531041       0.5127832     2.972656       0.4971262 
1 1 1 11 8  23 o 1.403899       0.3100718     1.985418       0.3915413     0.4257702      0.5078010 
1 1 1 11 8  24 o 1.212939       0.3239346     1.149163       0.4111803     1.317285       0.5259444 
1 1 1 11 8  25 o 0.8252807      0.3329063     0.7167036      0.4247968     0.9981079      0.5359426 
1 1 1 11 8  26 o 3.079666       0.3595918     3.149248       0.4562330     2.965548       0.5842742 
1 1 1 11 8  27 o 0.9213052      0.3712262     0.9758814      0.4780018     0.8383613      0.5892778 
1 1 1 11 8  28 o 1.706840       0.3779906     1.633880       0.4783265     1.828166       0.6168221 
1 1 1 11 8  29 o 0.2305409      0.3990830     0.2372165      0.4980186     0.2185616      0.6671320 
1 1 1 11 8  30 o 0.4692629E-01  0.4153479     0.6020591      0.5217829     -0.9132173     0.6862139 
1 1 1 11 8  31 f 0.9155731      0.4319456     0.4090191      0.5461743     1.761468       0.7057918 
1 1 1 11 8  32 f 0.1441490      0.4458394     0.1560217      0.5670706     0.1249304      0.7214779 
1 1 1 11 9  0  o 13.16189       0.5181394     13.16189       0.3663799     ?              ?         
1 1 1 11 9  1  o 54.87915       0.6663706     53.55550       0.9348766     56.24622       0.9500881 
1 1 1 11 9  2  o 56.12650       0.6811422     56.68819       0.9640265     55.56656       0.9625362 
1 1 1 11 9  3  o 22.06865       0.4821729     22.84990       0.7195274     21.43186       0.6496110 
1 1 1 11 9  4  o 4.306976       0.3407063     4.405381       0.5096229     4.227449       0.4581412 
1 1 1 11 9  5  o 91.67547       1.007788      92.61549       1.471872      90.84583       1.382754  
1 1 1 11 9  6  o 122.1344       1.305517      122.2003       1.975466      122.0834       1.739519  
1 1 1 11 9  7  o 222.1685       2.185182      225.3134       3.310543      219.7404       2.908897  
1 1 1 11 9  8  f 62.67090       0.7840610     63.11198       1.194172      62.33667       1.039506  
1 1 1 11 9  9  o 131.8035       1.397060      134.8380       2.121465      129.4799       1.856436  
1 1 1 11 9  10 o 48.37311       0.6616942     49.11755       1.014180      47.82133       0.8731340 
1 1 1 11 9  11 o 1.584077       0.3294612     0.9728149      0.5037923     2.040833       0.4354915 
1 1 1 11 9  12 f 19.68130       0.4138266     19.57318       0.6778510     19.74554       0.5224965 
1 1 1 11 9  13 o 37.79496       0.5669890     38.24782       0.8941609     37.49041       0.7332548 
1 1 1 11 9  14 o 3.965250       0.3206384     3.718563       0.5300118     4.107648       0.4026843 
1 1 1 11 9  15 o 2.658752       0.3129280     2.935503       0.5227112     2.504160       0.3906712 
1 1 1 11 9  16 o 1.663417       0.3363463     1.838440       0.5172312     1.535178       0.4427399 
1 1 1 11 9  17 o 4.132464       0.3474972     4.180454       0.5418442     4.098937       0.4529001 
1 1 1 11 9  18 o 8.929343       0.3893285     8.580700       0.5800909     9.215108       0.5251822 
1 1 1 11 9  19 o -0.5869070E-01 0.3445479     -0.3608064     0.5094530     0.1959806      0.4677432 
1 1 1 11 9  20 o 0.8223855      0.3419741     0.7479551      0.5186920     0.8796151      0.4548259 
1 1 1 11 9  21 f 4.462506       0.3661457     5.049872       0.5471903     3.986294       0.4927019 
1 1 1 11 9  22 f 3.920459       0.3743327     3.935390       0.5560302     3.908083       0.5062388 
1 1 1 11 9  23 o 0.6705456      0.3652114     0.8016734      0.5357821     0.5567417      0.4991367 
1 1 1 11 9  24 o 0.2753466      0.3296838     0.6226104      0.4248104     -0.2505457     0.5227738 
1 1 1 11 9  25 o 1.980587       0.3586187     1.959236       0.4614950     2.013133       0.5697773 
1 1 1 11 9  26 o 2.597116       0.3663723     2.386053       0.4600872     2.962903       0.6056862 
1 1 1 11 9  27 f 2.157133       0.3757991     2.334665       0.4778006     1.869177       0.6085160 
1 1 1 11 9  28 o 2.377480       0.3912671     2.430476       0.4993115     2.293163       0.6298072 
1 1 1 11 9  29 o 2.042589       0.4188895     1.780402       0.5328429     2.466787       0.6777626 
1 1 1 11 9  30 f 0.4998371      0.4285039     0.1843767      0.5415711     1.027932       0.7007115 
1 1 1 11 9  31 f 0.4751063      0.4314309     0.2998639      0.5498090     0.7559177      0.6959847 
1 1 1 11 9  32 o 0.1314354E-01  0.4511273     -0.1981197     0.5743777     0.3533134      0.7288422 
1 1 1 11 10 0  o 166.1104       2.285300      166.1104       1.615951      ?              ?         
1 1 1 11 10 1  f 68.38952       0.7952502     68.79559       1.129797      67.99076       1.119581  
1 1 1 11 10 2  o 102.4799       1.080956      103.1242       1.532802      101.8425       1.524636  
1 1 1 11 10 3  o 22.97246       0.4527784     22.89332       0.6460469     23.04885       0.6347531 
1 1 1 11 10 4  o 3.822799       0.3543418     3.559700       0.5342038     4.029500       0.4734998 
1 1 1 11 10 5  o 24.12674       0.4717125     24.64006       0.6991557     23.69782       0.6390882 
1 1 1 11 10 6  o 30.42889       0.5382797     31.36547       0.8276175     29.74224       0.7086405 
1 1 1 11 10 7  o 30.67864       0.5385584     31.61272       0.8379874     30.02135       0.7029558 
1 1 1 11 10 8  o 37.95620       0.5935962     38.26402       0.9130213     37.73082       0.7812426 
1 1 1 11 10 9  o 4.571420       0.3778564     4.446869       0.5850661     4.660545       0.4949155 
1 1 1 11 10 10 o 12.58457       0.4184868     13.50603       0.6664606     11.98474       0.5377111 
1 1 1 11 10 11 o 2.520530       0.3604288     1.824962       0.5514241     3.039367       0.4762461 
1 1 1 11 10 12 o 30.34340       0.5150822     28.33142       0.8149299     31.68190       0.6646893 
1 1 1 11 10 13 o 43.71869       0.6253448     44.16062       0.9989197     43.43388       0.8019235 
1 1 1 11 10 14 o 96.94900       1.108669      96.84490       1.686884      97.02815       1.470986  
1 1 1 11 10 15 o 61.29763       0.8018788     60.23668       1.216765      62.11219       1.066157  
1 1 1 11 10 16 o 24.88006       0.5107839     23.36501       0.7823436     26.00569       0.6743438 
1 1 1 11 10 17 o 0.4208302      0.3586007     -0.3852311E-01 0.5686693     0.7240810      0.4620482 
1 1 1 11 10 18 o 1.542706       0.3717108     1.398861       0.5847166     1.640263       0.4815362 
1 1 1 11 10 19 f 0.4602843      0.3647172     0.3846532      0.5623634     0.5151886      0.4791488 
1 1 1 11 10 20 o 3.654191       0.3792073     3.836304       0.5755360     3.514482       0.5040969 
1 1 1 11 10 21 o 6.268740       0.4019048     5.838357       0.5931116     6.634139       0.5465033 
1 1 1 11 10 22 o 2.532772       0.3871994     2.927857       0.5800554     2.215241       0.5200166 
1 1 1 11 10 23 o 4.747484       0.4036080     5.186326       0.5998794     4.384523       0.5455559 
1 1 1 11 10 24 o 2.705360       0.4064742     2.933728       0.6083624     2.521200       0.5463135 
1 1 1 11 10 25 f 2.290030       0.3699143     2.346334       0.4870394     2.213271       0.5686716 
1 1 1 11 10 26 o 1.233957       0.3825113     1.522142       0.4975672     0.8175374      0.5981098 
1 1 1 11 10 27 o 0.1160495      0.3869224     0.3635615      0.4961835     -0.2679808     0.6180548 
1 1 1 11 10 28 o 1.160435       0.4140724     0.8655329      0.5267650     1.637326       0.6698662 
1 1 1 11 10 29 o 0.5038512      0.4136431     0.4549102      0.5272817     0.5821661      0.6670036 
1 1 1 11 10 30 o 0.1569392      0.4395401     0.2087336      0.5547958     0.6962501E-01  0.7203342 
1 1 1 11 10 31 o 0.4817528      0.4470300     0.6795766      0.5648216     0.1500716      0.7313621 
1 1 1 11 11 0  o 9.060082       0.5440083     9.060082       0.3846720     ?              ?         
1 1 1 11 11 1  o 11.98521       0.4088444     11.76325       0.5794388     12.20528       0.5769557 
1 1 1 11 11 2  o 46.47631       0.6397486     45.71571       0.9037200     47.24036       0.9057658 
1 1 1 11 11 3  o 77.85020       0.8906151     76.73593       1.260146      78.96225       1.258894  
1 1 1 11 11 4  o 24.73990       0.4824222     25.87535       0.6924161     23.66878       0.6725153 
1 1 1 11 11 5  o 37.27288       0.5889373     36.68348       0.8609474     37.79123       0.8073957 
1 1 1 11 11 6  f 51.12347       0.7170536     50.85984       1.090356      51.32438       0.9518341 
1 1 1 11 11 7  o 71.30868       0.8877825     72.22307       1.344239      70.60130       1.182318  
1 1 1 11 11 8  o 20.23871       0.4838799     20.97319       0.7432944     19.69851       0.6374531 
1 1 1 11 11 9  o 17.28869       0.4642614     17.65666       0.7166971     17.02265       0.6094043 
1 1 1 11 11 10 o 21.76838       0.4953890     21.16050       0.7592471     22.21902       0.6537103 
1 1 1 11 11 11 o 55.58529       0.7640605     54.90987       1.149107      56.12054       1.022952  
1 1 1 11 11 12 o 32.35410       0.5583456     32.44024       0.9065400     32.30146       0.7087242 
1 1 1 11 11 13 o 1.481890       0.3608284     1.758811       0.6179529     1.338629       0.4444691 
1 1 1 11 11 14 f 8.707854       0.4119536     8.651495       0.6854247     8.739725       0.5154353 
1 1 1 11 11 15 f 22.80046       0.5131004     22.30507       0.7981517     23.14939       0.6698586 
1 1 1 11 11 16 o 13.67395       0.4322334     13.68668       0.7112776     13.66649       0.5442529 
1 1 1 11 11 17 o 2.982306       0.3588798     2.600504       0.6250974     3.170027       0.4383145 
1 1 1 11 11 18 o 0.6327424      0.3845115     -0.3569597     0.6127499     1.275616       0.4938485 
1 1 1 11 11 19 f 8.216778       0.4237173     8.610133       0.6252692     7.882752       0.5761889 
1 1 1 11 11 20 o 8.870911       0.4315596     8.777496       0.6531506     8.943294       0.5749384 
1 1 1 11 11 21 o 3.530041       0.3976912     3.433420       0.6002577     3.605635       0.5309404 
1 1 1 11 11 22 o 2.149286       0.4021235     2.083197       0.5908130     2.206325       0.5488768 
1 1 1 11 11 23 o 1.064084       0.4045307     0.5292343      0.6067258     1.492142       0.5427852 
1 1 1 11 11 24 o 1.217437       0.4151214     1.112457       0.6257769     1.299941       0.5547587 
1 1 1 11 11 25 o 1.978257       0.4317902     1.988144       0.6536717     1.970603       0.5751282 
1 1 1 11 11 26 f 1.147701       0.3781075     1.261151       0.4866838     0.9749629      0.6005361 
1 1 1 11 11 27 o 0.7388498      0.4057842     0.7257000      0.5404760     0.7558385      0.6143214 
1 1 1 11 11 28 o 2.477738       0.4427184     2.582800       0.5705763     2.318797       0.7017941 
1 1 1 11 11 29 o 0.8470783      0.4393974     0.9706425      0.5669646     0.6612488      0.6952913 
1 1 1 11 11 30 o 1.447684       0.4559715     2.284246       0.5858374     0.1621298      0.7262282 
1 1 1 11 11 31 o 0.4513569      0.4622522     0.3524553      0.5965014     0.6000378      0.7313700 
1 1 1 11 12 0  o 10.88513       0.6012831     10.88513       0.4251714     ?              ?         
1 1 1 11 12 1  o 83.39745       0.9504052     82.32301       1.338032      84.49152       1.350203  
1 1 1 11 12 2  o 63.22258       0.7861723     63.68351       1.119074      62.77342       1.104697  
1 1 1 11 12 3  o 89.29873       0.9973093     88.57549       1.403821      90.03570       1.417090  
1 1 1 11 12 4  o 176.1271       1.731338      175.5007       2.452271      176.7496       2.444710  
1 1 1 11 12 5  f 213.4712       2.107980      212.7070       3.067891      214.1546       2.901345  
1 1 1 11 12 6  o 42.13417       0.6410587     41.93543       0.9492038     42.30085       0.8692510 
1 1 1 11 12 7  o 5.168667       0.4279926     4.703331       0.6614682     5.503776       0.5613306 
1 1 1 11 12 8  o 25.00914       0.5343574     24.92334       0.8265859     25.07073       0.7003875 
1 1 1 11 12 9  o 23.31837       0.5245664     23.16161       0.8164241     23.42859       0.6845700 
1 1 1 11 12 10 o 54.30558       0.7715267     54.44975       1.170000      54.19464       1.026279  
1 1 1 11 12 11 o 4.624425       0.4333743     4.730470       0.6592998     4.543746       0.5750664 
1 1 1 11 12 12 o 3.678631       0.3951821     2.733050       0.6631259     4.199391       0.4921136 
1 1 1 11 12 13 o 1.273443       0.3809125     1.204910       0.6507180     1.309169       0.4698189 
1 1 1 11 12 14 o 4.507371       0.4094042     4.557775       0.6656354     4.476701       0.5192308 
1 1 1 11 12 15 o 1.473467       0.3803056     1.066450       0.6294006     1.707522       0.4772873 
1 1 1 11 12 16 f 0.5534569      0.3689157     1.017603       0.6545467     0.3373683      0.4466107 
1 1 1 11 12 17 o 4.176698       0.3774928     4.015882       0.6506591     4.258293       0.4634682 
1 1 1 11 12 18 o 1.918800       0.3582956     1.191984       0.6166619     2.289212       0.4402281 
1 1 1 11 12 19 o 5.668855       0.4196662     5.303130       0.6379051     5.947930       0.5572360 
1 1 1 11 12 20 f -0.2453768     0.3909473     0.4353599      0.6167762     -0.7025647     0.5054584 
1 1 1 11 12 21 o 2.174179       0.3916989     2.463941       0.6261853     1.987915       0.5020502 
1 1 1 11 12 22 o 1.465287       0.4024076     1.950963       0.6282603     1.127428       0.5240030 
1 1 1 11 12 23 o 1.106589       0.5212892     1.563334       0.7730832     0.7257640      0.7059155 
1 1 1 11 12 24 f 0.5490713      0.4246388     0.2290357      0.6524420     0.7842671      0.5593164 
1 1 1 11 12 25 o 0.4140654      0.4480707     -0.5878092     0.6671392     1.237388       0.6047764 
1 1 1 11 12 26 o 0.4449638E-01  0.4553168     -0.1288857     0.6935953     0.1757949      0.6035787 
1 1 1 11 12 27 o 0.9539787      0.4137850     1.056473       0.5298014     0.7936736      0.6625783 
1 1 1 11 12 28 f 0.8860405      0.4340242     0.5004684      0.5793160     1.379370       0.6552864 
1 1 1 11 12 29 o -0.3394205     0.4477237     -0.7681600     0.5847219     0.2681994      0.6960950 
1 1 1 11 12 30 o 1.567599       0.4663578     1.977162       0.6033103     0.9595461      0.7351069 
1 1 1 11 13 0  o 31.08221       0.7878725     31.08221       0.5571100     ?              ?         
1 1 1 11 13 1  o 7.004366       0.4274478     7.402682       0.6144960     6.630947       0.5949810 
1 1 1 11 13 2  o 38.57840       0.6155745     39.86647       0.8861127     37.37699       0.8557867 
1 1 1 11 13 3  o 24.63690       0.5209203     24.30110       0.7397882     24.96713       0.7336355 
1 1 1 11 13 4  o 87.40461       1.025007      85.42639       1.488314      89.18950       1.413718  
1 1 1 11 13 5  o 111.5789       1.235283      109.7945       1.796047      113.1807       1.701678  
1 1 1 11 13 6  o 14.75526       0.4870235     13.30708       0.7132524     16.02026       0.6666203 
1 1 1 11 13 7  o 17.61395       0.4989178     18.50514       0.7338261     16.84790       0.6803566 
1 1 1 11 13 8  f 62.33620       0.8480760     61.83652       1.284134      62.72274       1.129427  
1 1 1 11 13 9  o 49.56454       0.7962783     50.61422       1.204082      48.74865       1.061552  
1 1 1 11 13 10 o 58.00581       0.8221483     57.15166       1.247699      58.66127       1.092987  
1 1 1 11 13 11 o 48.05671       0.7408702     47.66872       1.125154      48.35370       0.9843951 
1 1 1 11 13 12 o 12.45225       0.4572728     12.58355       0.7614539     12.37820       0.5718732 
1 1 1 11 13 13 o 7.656355       0.4336226     7.693227       0.7315034     7.636380       0.5384192 
1 1 1 11 13 14 o 24.14911       0.5480487     24.58520       0.8672495     23.85917       0.7071430 
1 1 1 11 13 15 o 18.10571       0.4936248     17.89041       0.7890829     18.24413       0.6327145 
1 1 1 11 13 16 o 42.23354       0.6814060     41.52233       1.054205      42.74391       0.8930329 
1 1 1 11 13 17 o 20.91127       0.5112739     20.10058       0.8106264     21.44680       0.6588454 
1 1 1 11 13 18 o 19.75172       0.5281869     19.31032       0.8763402     20.00355       0.6619268 
1 1 1 11 13 19 f 11.56110       0.4687529     11.78837       0.7229270     11.39623       0.6157337 
1 1 1 11 13 20 o 2.418131       0.4136232     2.846809       0.6336958     2.099934       0.5459631 
1 1 1 11 13 21 o 1.095250       0.4032949     0.6419463      0.6322885     1.406155       0.5236412 
1 1 1 11 13 22 o 4.343270       0.4337243     4.222701       0.6752870     4.427934       0.5658734 
1 1 1 11 13 23 o 3.316667       0.4282091     4.193377       0.6797835     2.739948       0.5513467 
1 1 1 11 13 24 o 2.533846       0.4651923     2.673427       0.7902028     2.459815       0.5754825 
1 1 1 11 13 25 o 1.034600       0.4507019     1.217650       0.6918100     0.8996174      0.5940731 
1 1 1 11 13 26 o 0.7384727E-01  0.4646215     -0.1509590     0.7006590     0.2502867      0.6207266 
1 1 1 11 13 27 f -0.1130587     0.4914837     -0.3952632     0.7583671     0.9130430E-01  0.6453550 
1 1 1 11 13 28 o 0.9595764      0.5179756     1.098900       0.7736742     0.8463960      0.6973180 
1 1 1 11 13 29 o -0.4308324     0.4629184     -0.7773662E-01 0.6051888     -0.9287670     0.7186720 
1 1 1 11 13 30 o -0.4144075     0.4884816     -0.6739922     0.6444933     -0.6398018E-01 0.7488208 
1 1 1 11 14 0  o 60.55905       1.133607      60.55905       0.8015809     ?              ?         
1 1 1 11 14 1  f 69.82117       0.8663780     69.05653       1.219461      70.60050       1.231109  
1 1 1 11 14 2  o 148.0138       1.526828      145.5955       2.149588      150.4761       2.169066  
1 1 1 11 14 3  o 107.4158       1.216710      107.3535       1.772321      107.4714       1.673320  
1 1 1 11 14 4  f 46.71270       0.7181059     47.55579       1.062712      46.00426       0.9741657 
1 1 1 11 14 5  o 14.96759       0.5153689     15.82630       0.7708703     14.27358       0.6930139 
1 1 1 11 14 6  o 44.65082       0.7320824     43.29036       1.077668      45.81664       0.9976029 
1 1 1 11 14 7  f 26.60456       0.6090474     24.87807       0.9701180     27.72773       0.7824665 
1 1 1 11 14 8  f 12.80369       0.4906276     12.19738       0.7205976     13.32765       0.6698794 
1 1 1 11 14 9  f 9.299537       0.5001004     10.27872       0.7786350     8.611964       0.6524709 
1 1 1 11 14 10 o 1.018597       0.4728130     1.192867       0.7177944     0.8850304      0.6284035 
1 1 1 11 14 11 f 0.6542350      0.5157098     0.6875425      0.7189963     0.6189427      0.7401093 
1 1 1 11 14 12 o 4.487964       0.4292992     4.676397       0.6999689     4.374348       0.5435261 
1 1 1 11 14 13 o 8.546839       0.4432661     8.252334       0.7133359     8.732090       0.5657552 
1 1 1 11 14 14 o 8.401553       0.4563705     8.880363       0.7532242     8.123828       0.5736549 
1 1 1 11 14 15 o 25.62673       0.5581837     25.58066       0.8821567     25.65749       0.7208349 
1 1 1 11 14 16 o 19.08982       0.5094863     19.15878       0.8124495     19.04513       0.6540767 
1 1 1 11 14 17 o 10.76038       0.4502157     9.931704       0.7387236     11.25006       0.5678635 
1 1 1 11 14 18 o 0.3486418      0.3990304     0.7534000      0.6724616     0.1286680      0.4957412 
1 1 1 11 14 19 o 5.834168       0.4188384     6.106426       0.6921756     5.676896       0.5260823 
1 1 1 11 14 20 o 10.14539       0.4721908     10.33249       0.7302108     10.01093       0.6190338 
1 1 1 11 14 21 f 2.933062       0.4412188     3.055829       0.6806533     2.844088       0.5794485 
1 1 1 11 14 22 f 0.7349945      0.4290377     0.3907044      0.6537787     0.9954170      0.5686011 
1 1 1 11 14 23 o 0.8249244      0.4268485     1.548584       0.6979518     0.3925383      0.5395033 
1 1 1 11 14 24 f 1.041187       0.4433353     1.174767       0.6993048     0.9514225      0.5732579 
1 1 1 11 14 25 o 1.581215       0.4692133     2.323033       0.7268340     1.051175       0.6143855 
1 1 1 11 14 26 f -0.2133663     0.4876249     -0.7115456     0.7493427     0.1525368      0.6422005 
1 1 1 11 14 27 o -0.3263409     0.5001128     -0.8408504     0.7477956     0.9000170E-01  0.6726848 
1 1 1 11 14 28 o -0.1315381     0.5261659     0.4118370      0.8031127     -0.5401704     0.6964549 
1 1 1 11 14 29 f 0.5745234      0.5327834     1.478887       0.8108916     -0.1124450     0.7067397 
1 1 1 11 15 0  o 20.71576       0.7758157     20.71576       0.5485846     ?              ?         
1 1 1 11 15 1  o 2.537174       0.4663297     1.616203       0.6542806     3.488069       0.6648253 
1 1 1 11 15 2  o 3.840758       0.4658671     3.948302       0.6410283     3.720375       0.6782144 
1 1 1 11 15 3  o 69.26404       0.9162775     69.34396       1.346984      69.19521       1.250062  
1 1 1 11 15 4  o 50.48720       0.7665120     50.86868       1.128588      50.16055       1.044332  
1 1 1 11 15 5  f 52.48753       0.7850996     52.63653       1.162432      52.36255       1.064604  
1 1 1 11 15 6  o 48.91095       0.7571968     50.32603       1.126566      47.74490       1.022638  
1 1 1 11 15 7  o 56.43604       0.8110938     56.59924       1.193394      56.29595       1.105734  
1 1 1 11 15 8  o 32.51384       0.6578134     32.36557       0.9775623     32.63654       0.8892704 
1 1 1 11 15 9  o 1.410183       0.4746497     0.8088837      0.6870880     1.959087       0.6564704 
1 1 1 11 15 10 o 4.058739       0.4939223     4.049547       0.7577312     4.065530       0.6513089 
1 1 1 11 15 11 o 6.296214       0.4957639     6.814476       0.7399920     5.874157       0.6677867 
1 1 1 11 15 12 o 4.388006       0.4367825     4.577278       0.7074547     4.271418       0.5552441 
1 1 1 11 15 13 o 4.916015       0.4236479     5.335780       0.7084763     4.682379       0.5285569 
1 1 1 11 15 14 o 4.841401       0.4397233     4.973711       0.7211298     4.763087       0.5548010 
1 1 1 11 15 15 o 4.730987       0.4334803     4.165179       0.7285131     5.041110       0.5393488 
1 1 1 11 15 16 o 9.408507       0.4579840     9.267025       0.7422823     9.495474       0.5819604 
1 1 1 11 15 17 o 14.62485       0.4853092     13.75352       0.7882028     15.15686       0.6158996 
1 1 1 11 15 18 f 11.12124       0.4672416     10.30350       0.7565248     11.62552       0.5940921 
1 1 1 11 15 19 o 9.964086       0.4463775     9.033875       0.7303684     10.51871       0.5639632 
1 1 1 11 15 20 o 3.649459       0.4453208     3.896864       0.7258371     3.500118       0.5639302 
1 1 1 11 15 21 o 5.411890       0.4604734     5.501503       0.7303272     5.352760       0.5932508 
1 1 1 11 15 22 o 2.384959       0.4496613     2.450674       0.7097608     2.340897       0.5811751 
1 1 1 11 15 23 o 2.115606       0.4533641     2.345202       0.7006694     1.950256       0.5946128 
1 1 1 11 15 24 o 1.130036       0.4693382     1.176984       0.7284972     1.096722       0.6136660 
1 1 1 11 15 25 f 0.8588749      0.4909607     0.8793667      0.7633272     0.8444164      0.6411831 
1 1 1 11 15 26 o 0.7609151      0.5059963     0.6859328E-01  0.7746567     1.276106       0.6682503 
1 1 1 11 15 27 o 0.5023958E-01  0.5263783     0.8683488      0.8128194     -0.5406783     0.6907994 
1 1 1 11 15 28 o 0.9389669      0.5414907     0.6642377      0.8290834     1.143332       0.7150708 
1 1 1 11 16 0  o 1.631744       0.6807380     1.631744       0.4813545     ?              ?         
1 1 1 11 16 1  o 5.102875       0.4903346     4.401530       0.6842760     5.843080       0.7029777 
1 1 1 11 16 2  o 4.428838       0.4965957     3.448998       0.7054316     5.391429       0.6991947 
1 1 1 11 16 3  o 21.21415       0.5771540     22.01547       0.8495461     20.52731       0.7865296 
1 1 1 11 16 4  o 28.60624       0.6304020     27.24386       0.9267755     29.77939       0.8600099 
1 1 1 11 16 5  o 49.32911       0.7905387     50.62812       1.141008      48.12986       1.096312  
1 1 1 11 16 6  o 42.06524       0.7163770     43.19999       1.059657      41.11006       0.9722027 
1 1 1 11 16 7  o 10.56710       0.5258267     10.68256       0.7800835     10.47095       0.7118537 
1 1 1 11 16 8  f 14.36152       0.5397893     13.83305       0.8021075     14.79896       0.7297652 
1 1 1 11 16 9  f 19.71727       0.5497799     20.10938       0.8172964     19.39319       0.7430135 
1 1 1 11 16 10 o 28.09347       0.6189775     27.61529       0.9262354     28.47934       0.8320521 
1 1 1 11 16 11 o 16.15660       0.5454299     16.35158       0.8191113     16.00128       0.7310818 
1 1 1 11 16 12 o 4.748033       0.4413825     3.809652       0.7207122     5.311217       0.5583386 
1 1 1 11 16 13 f 0.3330170      0.4256178     -0.1668878     0.7031857     0.6220446      0.5346826 
1 1 1 11 16 14 o 4.770436       0.4396123     4.621335       0.7159469     4.860674       0.5569766 
1 1 1 11 16 15 f 4.797332       0.4362531     5.222740       0.7310740     4.562081       0.5436563 
1 1 1 11 16 16 f 1.627849       0.4236321     1.892953       0.7019218     1.475958       0.5313073 
1 1 1 11 16 17 o 1.562304       0.4230533     2.137367       0.7061664     1.240369       0.5283637 
1 1 1 11 16 18 o 3.646906       0.4320223     4.135249       0.7226799     3.375334       0.5389226 
1 1 1 11 16 19 f 0.3379562      0.4142782     -0.9888254E-01 0.6877727     0.5867015      0.5189934 
1 1 1 11 16 20 o 2.056935       0.4336068     1.822186       0.7123556     2.195104       0.5465140 
1 1 1 11 16 21 o -0.1165473E-01 0.4232215     0.3033000      0.6991844     -0.1937854     0.5316908 
1 1 1 11 16 22 o 0.6764112      0.4623535     0.2384564      0.7339357     0.9645754      0.5953376 
1 1 1 11 16 23 o 0.5239933      0.4720294     -0.3600213     0.7378002     1.136578       0.6141749 
1 1 1 11 16 24 o 1.997309       0.5046027     1.563293       0.7806222     2.308830       0.6613495 
1 1 1 11 16 25 o 0.5960057      0.5139498     1.647261       0.7942958     -0.1611162     0.6740795 
1 1 1 11 16 26 f 0.6655377      0.5098597     1.352078       0.7975862     0.1911169      0.6630199 
1 1 1 11 16 27 o -0.1476194     0.5342876     0.1101125E-01  0.8211284     -0.2640920     0.7036058 
1 1 1 11 17 0  o 10.70475       0.7399131     10.70475       0.5231976     ?              ?         
1 1 1 11 17 1  o 5.917716       0.5158874     5.619157       0.7615237     6.170947       0.7013369 
1 1 1 11 17 2  f 10.68001       0.5188612     10.91432       0.7538163     10.46906       0.7152619 
1 1 1 11 17 3  o 23.29021       0.6128535     23.71868       0.9016270     22.92225       0.8355512 
1 1 1 11 17 4  o 44.38672       0.7399862     44.19445       1.084647      44.55413       1.012111  
1 1 1 11 17 5  o 41.30010       0.7109928     42.09409       1.045598      40.61721       0.9696798 
1 1 1 11 17 6  o 25.74209       0.6171426     26.10139       0.8958852     25.41761       0.8513590 
1 1 1 11 17 7  o 38.55716       0.6782823     38.36925       0.9911221     38.72269       0.9302416 
1 1 1 11 17 8  o 38.83732       0.6871564     39.02745       1.007900      38.67220       0.9392953 
1 1 1 11 17 9  f 25.98281       0.5968035     25.38719       0.8621212     26.53087       0.8269896 
1 1 1 11 17 10 o 2.754377       0.4819398     3.482248       0.6902110     2.061866       0.6732374 
1 1 1 11 17 11 o 16.95987       0.5557752     17.25727       0.8450911     16.73321       0.7377652 
1 1 1 11 17 12 f 44.46603       0.7069642     44.63995       1.113462      44.34857       0.9150758 
1 1 1 11 17 13 o 21.17721       0.5301793     20.72129       0.8524992     21.46477       0.6770372 
1 1 1 11 17 14 o 6.208470       0.4657310     7.335920       0.7556043     5.517714       0.5914364 
1 1 1 11 17 15 o 3.643661       0.4501366     3.493580       0.7251774     3.737734       0.5741338 
1 1 1 11 17 16 o 3.345935       0.4461974     0.9286709      0.7272825     4.804966       0.5650325 
1 1 1 11 17 17 o 2.296886       0.4456753     2.832851       0.7304841     1.979086       0.5624962 
1 1 1 11 17 18 o 11.76206       0.4932072     12.67774       0.8240994     11.25106       0.6156335 
1 1 1 11 17 19 o 6.025918       0.4629168     5.681228       0.7480637     6.239827       0.5893029 
1 1 1 11 17 20 o 1.165727       0.4536675     0.8802347      0.7528021     1.328539       0.5684954 
1 1 1 11 17 21 o 0.6386506      0.4532710     1.580069       0.7533932     0.1045612      0.5674628 
1 1 1 11 17 22 o -0.4328683E-01 0.4852293     0.4265390      0.7504569     -0.3808104     0.6360765 
1 1 1 11 17 23 o -0.3961590     0.5000409     -0.8420547     0.7782142     -0.8260566E-01 0.6525867 
1 1 1 11 17 24 o 0.1274811      0.5052922     -0.2617333     0.7784026     0.4109294      0.6642733 
1 1 1 11 17 25 o 0.6889040E-01  0.5058133     -0.3282983     0.7844875     0.3515018      0.6617324 
1 1 1 11 17 26 o 0.3399616      0.5218494     0.7065688      0.8272598     0.9765776E-01  0.6725454 
1 1 1 11 17 27 o 1.017428       0.5487601     1.445577       0.8517254     0.7135583      0.7175403 
1 1 1 11 18 0  o 38.59970       1.024789      38.59970       0.7246352     ?              ?         
1 1 1 11 18 1  o 24.45412       0.6095713     24.25046       0.9082117     24.62108       0.8223041 
1 1 1 11 18 2  f 27.69091       0.6772678     28.21213       0.9725985     27.20026       0.9436597 
1 1 1 11 18 3  o 14.41337       0.5572443     13.86275       0.8194247     14.88708       0.7600458 
1 1 1 11 18 4  o 12.58065       0.5518500     12.21049       0.8006884     12.91558       0.7616423 
1 1 1 11 18 5  o 4.672104       0.5068414     4.202666       0.7324655     5.103383       0.7020646 
1 1 1 11 18 6  o -0.4346422     0.4847884     -0.9386583E-01 0.7137977     -0.7264194     0.6604899 
1 1 1 11 18 7  o 0.7733831      0.4709362     1.245618       0.6803810     0.3390552      0.6525022 
1 1 1 11 18 8  o 0.8337580E-01  0.4641374     -0.3658711     0.6598385     0.5233508      0.6529939 
1 1 1 11 18 9  o 6.118238       0.4928951     6.197484       0.7087914     6.044031       0.6858904 
1 1 1 11 18 10 o 13.55508       0.5190968     13.73061       0.7492517     13.39305       0.7198578 
1 1 1 11 18 11 o 22.72110       0.5750044     23.56937       0.8329397     21.94881       0.7947611 
1 1 1 11 18 12 o 7.473763       0.4664404     7.331202       0.7502980     7.563566       0.5954990 
1 1 1 11 18 13 o 2.406017       0.4415716     2.356401       0.7306282     2.434569       0.5542495 
1 1 1 11 18 14 o 2.940526       0.4660044     3.225802       0.7521558     2.762802       0.5936735 
1 1 1 11 18 15 o 3.605755       0.4690509     3.368039       0.7689472     3.746621       0.5919307 
1 1 1 11 18 16 o 2.618244       0.4587504     2.445513       0.7599290     2.717283       0.5754302 
1 1 1 11 18 17 o 2.660208       0.4713051     3.214131       0.7574301     2.310230       0.6020571 
1 1 1 11 18 18 o 0.3159486      0.4683007     0.8443844      0.7675685     0.2613309E-02  0.5910520 
1 1 1 11 18 19 o 0.5531657      0.4601701     0.6639628      0.7633870     0.4899264      0.5767325 
1 1 1 11 18 20 o 1.553901       0.4922231     0.8332357      0.8776831     1.884565       0.5945175 
1 1 1 11 18 21 o 0.1393831      0.4741611     0.5028480      0.7894825     -0.6570301E-01 0.5930337 
1 1 1 11 18 22 f 1.134438       0.4993480     2.809823       0.8379217     0.2117634      0.6218284 
1 1 1 11 18 23 o 1.744763       0.5219710     0.9192291      0.8217955     2.303023       0.6757946 
1 1 1 11 18 24 o 1.367900       0.5395896     1.979451       0.8474368     0.9508960      0.6997790 
1 1 1 11 18 25 f 2.833319       0.5439897     2.260579       0.8533713     3.225363       0.7060365 
1 1 1 11 18 26 o 1.047079       0.5435968     2.031129       0.8597302     0.3916259      0.7016563 
1 1 1 11 19 0  o 2.162141       0.7587441     2.162141       0.5365131     ?              ?         
1 1 1 11 19 1  o 2.347409       0.5249770     3.045384       0.7436211     1.653890       0.7412440 
1 1 1 11 19 2  o 2.968540       0.5069692     2.266685       0.7328945     3.612518       0.7020266 
1 1 1 11 19 3  o 5.723881       0.5055388     6.088268       0.7207898     5.371089       0.7092301 
1 1 1 11 19 4  o 4.927245       0.4999661     5.083800       0.7154318     4.777810       0.6989731 
1 1 1 11 19 5  o 1.553681       0.4807742     0.9429167      0.6886024     2.134575       0.6715529 
1 1 1 11 19 6  o 3.190134       0.4705449     2.884550       0.6795951     3.471538       0.6521547 
1 1 1 11 19 7  o 5.581200       0.4894312     7.163581       0.7131675     4.172440       0.6729062 
1 1 1 11 19 8  o 16.70826       0.5462877     15.72079       0.7769641     17.67368       0.7682445 
1 1 1 11 19 9  o 7.810558       0.4968115     8.104694       0.7139245     7.534377       0.6917931 
1 1 1 11 19 10 o 3.887944       0.4864785     4.522854       0.6982169     3.288935       0.6781892 
1 1 1 11 19 11 o 1.234583       0.4894140     0.4810989      0.6935070     1.982138       0.6907731 
1 1 1 11 19 12 o 3.828158       0.4403984     3.345388       0.7034224     4.139386       0.5647877 
1 1 1 11 19 13 o 4.893224       0.4648909     4.825111       0.7742568     4.931625       0.5813509 
1 1 1 11 19 14 o 4.784042       0.4669426     4.827481       0.7873867     4.760478       0.5799221 
1 1 1 11 19 15 o 4.151862       0.4882331     3.899661       0.7744954     4.318175       0.6289397 
1 1 1 11 19 16 o 4.713865       0.4838201     4.629825       0.8008766     4.762161       0.6071288 
1 1 1 11 19 17 o 3.286237       0.4922661     2.692395       0.7845347     3.671863       0.6322072 
1 1 1 11 19 18 o 1.258479       0.4761839     1.598319       0.8095920     1.078724       0.5888033 
1 1 1 11 19 19 o 0.6580126E-01  0.4850369     -0.1093608     0.7884980     0.1724304      0.6152031 
1 1 1 11 19 20 o 0.7637252      0.4848480     0.3280237      0.8097963     1.007190       0.6053395 
1 1 1 11 19 21 f 1.139184       0.5105963     1.777622       0.8359719     0.7592919      0.6448559 
1 1 1 11 19 22 o 0.7731194      0.5105175     0.9647840      0.8298393     0.6564078      0.6475602 
1 1 1 11 19 23 o 0.1003671      0.5088843     -0.8260164     0.8350446     0.6476620      0.6418374 
1 1 1 11 19 24 o 0.3322645      0.5356221     -0.3118609     0.8409148     0.7719912      0.6947975 
1 1 1 11 19 25 o 0.6205169E-02  0.5844596     -0.6900923     0.8801705     0.5553774      0.7816704 
1 1 1 11 20 0  o 9.612662       0.7908366     9.612662       0.5592059     ?              ?         
1 1 1 11 20 1  f 16.21681       0.5943344     15.68539       0.8390362     16.75199       0.8420031 
1 1 1 11 20 2  f 19.36458       0.5752278     19.90546       0.8622452     18.93080       0.7721766 
1 1 1 11 20 3  o 20.05735       0.5798986     20.34123       0.8469644     19.80683       0.7956405 
1 1 1 11 20 4  o 13.40869       0.5469156     14.45925       0.8035746     12.50210       0.7464875 
1 1 1 11 20 5  o 7.169267       0.5198345     7.670055       0.7680240     6.745885       0.7061781 
1 1 1 11 20 6  o 2.938115       0.4874495     2.831671       0.7119609     3.032038       0.6687790 
1 1 1 11 20 7  o 3.363503       0.4952816     3.272006       0.7190325     3.446109       0.6832079 
1 1 1 11 20 8  o 15.10612       0.5471581     14.77178       0.7951364     15.40682       0.7540909 
1 1 1 11 20 9  o 31.79264       0.6565537     31.90078       0.9507524     31.69406       0.9077536 
1 1 1 11 20 10 o 39.55436       0.7298294     38.23378       1.004060      41.03371       1.062704  
1 1 1 11 20 11 f 21.41069       0.5771664     20.77140       0.8275464     22.01619       0.8053782 
1 1 1 11 20 12 o 11.64494       0.5026221     12.80684       0.7983518     10.88200       0.6469253 
1 1 1 11 20 13 o 1.300195       0.4534398     1.285454       0.7243383     1.309694       0.5814684 
1 1 1 11 20 14 o 0.5895301      0.4607701     0.3899342      0.8020850     0.6878433      0.5629247 
1 1 1 11 20 15 o 0.1180674E-01  0.4887418     0.4664887      0.8018460     -0.2569692     0.6164989 
1 1 1 11 20 16 o 0.5066602      0.4989951     0.1132181E-01  0.8141730     0.8046618      0.6315023 
1 1 1 11 20 17 o 2.787710       0.5106945     3.098625       0.8406618     2.605856       0.6429276 
1 1 1 11 20 18 o 3.497660       0.5067726     2.625905       0.8244845     4.026989       0.6424626 
1 1 1 11 20 19 o 2.120251       0.5120577     1.011662       0.8449805     2.763639       0.6437212 
1 1 1 11 20 20 o 0.6218210      0.5099415     1.201413       0.8294982     0.2697003      0.6465472 
1 1 1 11 20 21 o 0.9928129E-01  0.5157673     0.6677919      0.8249134     -0.2656045     0.6608723 
1 1 1 11 20 22 o 0.3119899      0.5260631     -0.7484250     0.8631666     0.9386243      0.6635350 
1 1 1 11 20 23 o 1.050284       0.5221487     0.4285188      0.8597788     1.413603       0.6572306 
1 1 1 11 21 0  o 1.280775       0.7422616     1.280775       0.5248582     ?              ?         
1 1 1 11 21 1  f 1.379835       0.5233524     1.721952       0.7549893     1.063383       0.7261189 
1 1 1 11 21 2  f 0.3054618      0.5189061     -0.1316065     0.7324972     0.7457593      0.7351982 
1 1 1 11 21 3  o 3.051952       0.4968787     2.971288       0.7342521     3.120098       0.6748815 
1 1 1 11 21 4  o 1.360310       0.4952154     1.298189       0.7004793     1.422382       0.7002014 
1 1 1 11 21 5  o 0.8247104      0.4746410     1.056877       0.6872491     0.6129794      0.6563070 
1 1 1 11 21 6  f 3.570869       0.4988872     3.844316       0.7289230     3.329906       0.6842591 
1 1 1 11 21 7  o 17.87667       0.5824570     17.13667       0.8426660     18.55366       0.8059944 
1 1 1 11 21 8  o 14.33500       0.5529003     14.08430       0.8125215     14.55118       0.7545330 
1 1 1 11 21 9  o 8.307328       0.5263828     8.819244       0.7569294     7.827914       0.7325067 
1 1 1 11 21 10 o 0.7705256      0.4872220     1.301829       0.6996277     0.2702211      0.6789113 
1 1 1 11 21 11 o 0.7449619      0.4852332     1.074543       0.7013249     0.4423152      0.6720573 
1 1 1 11 21 12 o 1.989579       0.4667874     2.168746       0.7475619     1.875081       0.5976070 
1 1 1 11 21 13 o 2.160833       0.4761477     3.226277       0.7630458     1.481399       0.6093388 
1 1 1 11 21 14 o 1.503859       0.4838445     1.571022       0.8141019     1.467179       0.6016306 
1 1 1 11 21 15 f 1.361436       0.5094231     0.9974051      0.8244918     1.586219       0.6478857 
1 1 1 11 21 16 o 1.327849       0.5158719     1.491179       0.8488225     1.232188       0.6496077 
1 1 1 11 21 17 o 0.8563974      0.5302393     0.3413374      0.8864592     1.143347       0.6616570 
1 1 1 11 21 18 o -0.1939896     0.5421973     -1.555549      0.8881449     0.6149220      0.6845673 
1 1 1 11 21 19 o 1.024674       0.5410175     0.5921214      0.8730033     1.294377       0.6893496 
1 1 1 11 21 20 o -0.4414790     0.5289643     0.8038460      0.8706622     -1.170066      0.6659611 
1 1 1 11 21 21 o 0.8580238      0.5375273     2.209581       0.8983927     0.1043905      0.6708556 
1 1 1 11 21 22 o 1.000822       0.5412405     1.104800       0.9170622     0.9452458      0.6704622 
1 1 1 11 22 0  o 5.716597       0.7752787     5.716597       0.5482048     ?              ?         
1 1 1 11 22 1  o 2.450701       0.5421371     2.086587       0.7543421     2.839687       0.7796811 
1 1 1 11 22 2  o 0.9405118      0.5309201     0.8583839      0.7497168     1.023131       0.7519572 
1 1 1 11 22 3  o 0.2616131      0.5253218     0.9041888      0.7539309     -0.3447398     0.7323726 
1 1 1 11 22 4  o 0.3875462      0.4885197     0.4570851E-01  0.7089807     0.6965592      0.6740821 
1 1 1 11 22 5  o 0.2621600      0.5081128     0.3281392      0.7418548     0.2038569      0.6973670 
1 1 1 11 22 6  o 0.2846967      0.4918999     0.7566349      0.7179988     -0.1327405     0.6752688 
1 1 1 11 22 7  f -0.7451835     0.5005645     -0.9190588E-01 0.7242941     -1.342505      0.6925805 
1 1 1 11 22 8  o 0.4868632      0.6126293     -0.7690480E-01 0.9700265     0.8609378      0.7901554 
1 1 1 11 22 9  o 0.4574659      0.5074249     0.3059263      0.7173082     0.6092584      0.7179065 
1 1 1 11 22 10 o -0.5244207     0.5024233     -0.8155290     0.7271767     -0.2585172     0.6949839 
1 1 1 11 22 11 o -0.3993412     0.4716923     -0.3970153     0.7661359     -0.4007610     0.5985953 
1 1 1 11 22 12 o 0.2606883      0.4780023     -0.1190008     0.7325718     0.5421960      0.6307848 
1 1 1 11 22 13 o 1.295563       0.4715607     1.340223       0.7639031     1.268067       0.5993975 
1 1 1 11 22 14 f 3.472826       0.4988517     3.652728       0.8138516     3.364557       0.6313616 
1 1 1 11 22 15 o 1.425224       0.5334470     0.9300343      0.8723789     1.720963       0.6741778 
1 1 1 11 22 16 o 3.137458       0.5489696     3.624239       0.8847712     2.832756       0.7000073 
1 1 1 11 22 17 o 4.704680       0.5650278     5.004710       0.9240263     4.525496       0.7140895 
1 1 1 11 22 18 o 2.636121       0.5426473     2.341369       0.8810136     2.816297       0.6888164 
1 1 1 11 22 19 o 3.283841       0.5669863     3.416570       0.9292441     3.205119       0.7156393 
1 1 1 11 22 20 o 2.357327       0.5585181     2.540058       0.9086068     2.246349       0.7080936 
1 1 1 11 22 21 o 0.8023052      0.5721826     -0.1510662     0.9599796     1.327623       0.7125939 
1 1 1 11 23 0  o 4.233347       0.8060887     4.233347       0.5699908     ?              ?         
1 1 1 11 23 1  o 7.513950       0.5738952     7.250558       0.7878055     7.811771       0.8377122 
1 1 1 11 23 2  o 5.497857       0.5658706     5.789219       0.8018944     5.208856       0.7986392 
1 1 1 11 23 3  o 3.322174       0.5630979     3.703174       0.7990950     2.946382       0.7936147 
1 1 1 11 23 4  o 3.446291       0.5264972     3.575994       0.7377977     3.311707       0.7515520 
1 1 1 11 23 5  o 3.978611       0.5217036     3.625476       0.7774060     4.267950       0.7036901 
1 1 1 11 23 6  o 0.1601820      0.5169736     0.2275137      0.7552012     0.1008051      0.7091882 
1 1 1 11 23 7  o 0.2632147      0.5154507     0.7948575E-01  0.7293805     0.4465179      0.7285350 
1 1 1 11 23 8  o 2.452595       0.5151682     2.537856       0.7540149     2.377949       0.7055166 
1 1 1 11 23 9  f 3.413861       0.5392202     2.783437       0.7648094     4.036963       0.7603550 
1 1 1 11 23 10 o 2.169023       0.5337675     2.916092       0.7567101     1.429211       0.7530259 
1 1 1 11 23 11 o 3.114593       0.4962561     3.381517       0.7938302     2.943361       0.6358088 
1 1 1 11 23 12 o 7.261731       0.5495109     7.966055       0.8623009     6.780121       0.7130506 
1 1 1 11 23 13 o 8.508073       0.5437332     9.272331       0.8649638     8.008755       0.6991438 
1 1 1 11 23 14 o 5.747029       0.5333913     6.126027       0.8477529     5.498681       0.6862477 
1 1 1 11 23 15 o 4.635728       0.5292684     5.435452       0.8500834     4.129480       0.6763520 
1 1 1 11 23 16 o 2.748548       0.5612110     2.619451       0.9087944     2.828126       0.7135147 
1 1 1 11 23 17 o 1.334587       0.5587091     1.625686       0.9228181     1.166137       0.7019906 
1 1 1 11 23 18 o 0.3942330      0.5638739     0.8203017      0.9308439     0.1472577      0.7087024 
1 1 1 11 23 19 f -1.020847      0.5789692     -0.6702562     0.9215641     -1.249452      0.7441625 
1 1 1 11 24 0  o 0.7517794      0.8222994     0.7517794      0.5814535     ?              ?         
1 1 1 11 24 1  o 1.979869       0.5770272     2.287266       0.8055977     1.656001       0.8268986 
1 1 1 11 24 2  o 5.004549       0.5848837     4.374875       0.8107713     5.687805       0.8445643 
1 1 1 11 24 3  o 7.619126       0.5914249     8.211381       0.8378103     7.030838       0.8349991 
1 1 1 11 24 4  o 11.90829       0.5997059     11.32262       0.8320422     12.54149       0.8651507 
1 1 1 11 24 5  o 3.226521       0.5826800     3.454341       0.8141323     2.987272       0.8343061 
1 1 1 11 24 6  o 1.598381       0.5375996     -0.5287680     0.7881974     3.448764       0.7351346 
1 1 1 11 24 7  o 0.2660056      0.5241465     -0.2516446E-01 0.7607946     0.5290723      0.7231477 
1 1 1 11 24 8  o 1.192085       0.5475037     0.5480204      0.7964069     1.769253       0.7539135 
1 1 1 11 24 9  o 3.697181       0.5716207     3.946873       0.8179415     3.458818       0.7991728 
1 1 1 11 24 10 o 3.045207       0.5693908     3.355152       0.8305542     2.770365       0.7821081 
1 1 1 11 24 11 f 0.8103032      0.5356721     1.393756       0.8442051     0.4170593      0.6930683 
1 1 1 11 24 12 o -0.3150908     0.5150267     -1.195649      0.7993676     0.3098696      0.6734320 
1 1 1 11 24 13 o 1.041825       0.5310664     1.327488       0.8522596     0.8604982      0.6790085 
1 1 1 11 24 14 o 0.7629842      0.5334406     1.884637       0.8835099     0.1195238      0.6691803 
1 1 1 11 24 15 o 1.350815       0.5196407     2.138686       0.8617945     0.9007149      0.6513747 
1 1 1 11 24 16 o 0.8983040      0.5606755     2.144755       0.9423889     0.2153629      0.6975643 
1 1 1 11 24 17 o 0.4581266      0.5640867     1.914355       0.9170293     -0.4282703     0.7154554 
1 1 1 11 25 0  f 0.1925676      0.8459961     0.1925676      0.5982096     ?              ?         
1 1 1 11 25 1  o 1.286200       0.6029919     1.017442       0.8442530     1.566069       0.8615282 
1 1 1 11 25 2  o 1.383629       0.5980418     1.354980       0.8480680     1.411968       0.8434685 
1 1 1 11 25 3  o 2.367519       0.5885430     2.068227       0.8462183     2.647933       0.8190953 
1 1 1 11 25 4  o 0.2783320      0.5967833     0.9215424      0.8403852     -0.3760001     0.8476195 
1 1 1 11 25 5  o -0.2753150     0.5833986     -1.055870      0.8029578     0.5974717      0.8490728 
1 1 1 11 25 6  o 3.481977       0.6455373     3.158051       0.9246726     3.789952       0.9016189 
1 1 1 11 25 7  o 5.167074       0.5880472     5.347757       0.8296050     4.984620       0.8336585 
1 1 1 11 25 8  o 4.859567       0.5977009     4.633922       0.8717910     5.059707       0.8210433 
1 1 1 11 25 9  f 1.897949       0.5674823     1.997799       0.8195016     1.805957       0.7865919 
1 1 1 11 25 10 o 1.614222       0.5871829     2.821725       0.8726994     0.6154052      0.7937131 
1 1 1 11 25 11 f 2.702167       0.5682808     2.923998       0.8926675     2.551001       0.7368917 
1 1 1 11 25 12 o 1.292349       0.5663215     2.137535       0.9005275     0.7394075      0.7283836 
1 1 1 11 25 13 o 0.8080100      0.5588248     1.247270       0.9001325     0.5325337      0.7128330 
1 1 1 11 25 14 o -0.1741913     0.5623260     -0.7035505     0.8814715     0.1890806      0.7302119 
1 1 1 11 25 15 o 1.093276       0.5569106     0.7477250      0.9158004     1.296047       0.7015312 
1 1 1 11 26 0  o 0.9754393      0.8728681     0.9754393      0.6172110     ?              ?         
1 1 1 11 26 1  o 2.492707       0.6294037     1.569317       0.8940037     3.400188       0.8862692 
1 1 1 11 26 2  o 1.923864       0.6198051     1.602888       0.8843930     2.233683       0.8688864 
1 1 1 11 26 3  o 4.753613       0.6380023     3.743583       0.9021305     5.764275       0.9024125 
1 1 1 11 26 4  o 7.318687       0.6452771     7.567692       0.9058366     7.062150       0.9194347 
1 1 1 11 26 5  o 8.132641       0.6518694     7.718486       0.9177829     8.554279       0.9260374 
1 1 1 11 26 6  f 5.352952       0.6445241     5.553765       0.9187388     5.158351       0.9044193 
1 1 1 11 26 7  o 2.346666       0.6152672     2.585729       0.8434960     2.074845       0.8994337 
1 1 1 11 26 8  o 2.118350       0.6397741     1.501952       0.8981791     2.753200       0.9115230 
1 1 1 11 26 9  o 4.140811       0.6253054     2.856246       0.9135674     5.273082       0.8577046 
1 1 1 11 26 10 o 1.771539       0.6180304     1.479607       0.9094357     2.022053       0.8424562 
1 1 1 11 26 11 o 0.3200136      0.5708462     0.6555152      0.8876591     0.8340982E-01  0.7454351 
1 1 1 11 26 12 o 0.3684279      0.5772680     0.9586992      0.9224991     -0.1147525E-01 0.7400764 
1 1 1 11 27 0  o 0.4736770      0.9186646     0.4736770      0.6495939     ?              ?         
1 1 1 11 27 1  o 0.2206792      0.6265835     0.7077116      0.8656668     -0.3152715     0.9081013 
1 1 1 11 27 2  o 2.492268       0.6440066     3.250391       0.9236792     1.775116       0.8983738 
1 1 1 11 27 3  o 0.5347117      0.6446956     0.4829890      0.9074981     0.5874123      0.9160364 
1 1 1 11 27 4  o 1.596952       0.6257722     1.429135       0.8644369     1.781722       0.9070514 
1 1 1 11 27 5  o 0.6923528      0.6403885     1.029743       0.8865053     0.3241651      0.9260829 
1 1 1 11 27 6  f 1.769975       0.6145862     1.211044       0.8449873     2.397763       0.8955250 
1 1 1 11 27 7  o 2.104899       0.6367369     2.825674       0.8950261     1.366278       0.9060389 
1 1 1 11 27 8  o 1.548502       0.6444350     1.485795       0.8832344     1.619887       0.9423752 
1 1 1 12 0  0  o 169.0116       3.486476      169.0116       2.465311      ?              ?         
1 1 1 12 0  1  o 721.6161       8.276896      721.6161       5.852649      ?              ?         
1 1 1 12 0  2  o 192.0116       2.711395      192.0116       1.917246      ?              ?         
1 1 1 12 0  3  o 358.5174       4.586570      358.5174       3.243195      ?              ?         
1 1 1 12 0  4  o 645.3562       7.522542      645.3562       5.319241      ?              ?         
1 1 1 12 0  5  o 552.5343       6.483608      552.5343       4.584603      ?              ?         
1 1 1 12 0  6  o 207.3877       2.750425      207.3877       1.944844      ?              ?         
1 1 1 12 0  7  o 16.23743       0.4476566     16.23743       0.3165410     ?              ?         
1 1 1 12 0  8  o 87.35406       1.309637      87.35406       0.9260533     ?              ?         
1 1 1 12 0  9  o 111.0485       1.579355      111.0485       1.116773      ?              ?         
1 1 1 12 0  10 o 333.0442       3.995547      333.0442       2.825278      ?              ?         
1 1 1 12 0  11 o 17.95068       0.5052834     17.95068       0.3572893     ?              ?         
1 1 1 12 0  12 o 3.673181       0.3316429     3.673181       0.2345069     ?              ?         
1 1 1 12 0  13 o 75.82475       1.258516      75.82475       0.8899052     ?              ?         
1 1 1 12 0  14 o 36.46300       0.6858153     36.46300       0.4849446     ?              ?         
1 1 1 12 0  15 o 0.4745883      0.2741252     0.4745883      0.1938358     ?              ?         
1 1 1 12 0  16 o 48.23700       0.8433506     48.23700       0.5963390     ?              ?         
1 1 1 12 0  17 o 6.817825       0.3450160     6.817825       0.2439631     ?              ?         
1 1 1 12 0  18 o 3.978532       0.3430465     3.978532       0.2425705     ?              ?         
1 1 1 12 0  19 o 1.998325       0.3439913     1.998325       0.2432386     ?              ?         
1 1 1 12 0  20 o -0.2957458     0.4078254     -0.2957458     0.2883761     ?              ?         
1 1 1 12 0  21 o 0.7484028      0.4345429     0.7484028      0.3072682     ?              ?         
1 1 1 12 0  22 o 0.1760929      0.4403888     0.1760929      0.3114019     ?              ?         
1 1 1 12 0  23 o 0.4247585      0.4636602     0.4247585      0.3278573     ?              ?         
1 1 1 12 0  24 o 1.266743       0.4709578     1.266743       0.3330175     ?              ?         
1 1 1 12 0  25 o 2.232248       0.5038139     2.232248       0.3562502     ?              ?         
1 1 1 12 0  26 o 0.1272276      0.5242161     0.1272276      0.3706767     ?              ?         
1 1 1 12 0  27 o -0.6599940E-01 0.5587397     -0.6599940E-01 0.3950886     ?              ?         
1 1 1 12 0  28 o 0.5976911      0.5581392     0.5976911      0.3946640     ?              ?         
1 1 1 12 0  29 o -0.2912515     0.5691006     -0.2912515     0.4024149     ?              ?         
1 1 1 12 0  30 o 0.3767734E-01  0.6109194     0.3767734E-01  0.4319853     ?              ?         
1 1 1 12 0  31 f -0.2336838     0.6486781     -0.2336838     0.4586847     ?              ?         
1 1 1 12 0  32 o -0.1848287     0.6841779     -0.1848287     0.4837869     ?              ?         
1 1 1 12 0  33 o -0.2500333     0.6941878     -0.2500333     0.4908649     ?              ?         
1 1 1 12 1  0  o 8.231253       0.4313722     8.231253       0.3050262     ?              ?         
1 1 1 12 1  1  o 122.1919       1.320916      122.1218       1.870685      122.2615       1.865442  
1 1 1 12 1  2  o 37.43367       0.5348169     36.44484       0.7538430     38.43575       0.7588727 
1 1 1 12 1  3  o 159.2901       1.650982      154.9770       2.322961      163.6925       2.346904  
1 1 1 12 1  4  o 249.4347       2.361419      243.1447       3.234107      256.6176       3.456030  
1 1 1 12 1  5  o 48.28438       0.7144364     48.70973       0.9657692     47.77026       1.061772  
1 1 1 12 1  6  o 40.65797       0.5444981     40.44919       0.7445092     40.89806       0.7983840 
1 1 1 12 1  7  o 29.94565       0.4280004     30.91171       0.6106645     29.01290       0.6000432 
1 1 1 12 1  8  o 55.30756       0.6475821     53.48023       0.9094418     57.18706       0.9223329 
1 1 1 12 1  9  f 89.94534       0.9471375     86.63914       1.320175      93.45198       1.359604  
1 1 1 12 1  10 o 16.87965       0.3318103     16.09153       0.4915269     17.53950       0.4497521 
1 1 1 12 1  11 o 32.07794       0.4850214     31.77445       0.6828892     32.38688       0.6889992 
1 1 1 12 1  12 f 36.98065       0.5072811     37.99019       0.7483925     36.12257       0.6899709 
1 1 1 12 1  13 o 105.2736       1.161666      104.7185       1.619668      105.8615       1.667044  
1 1 1 12 1  14 o 236.0325       2.290668      238.4091       3.206233      233.5546       3.273811  
1 1 1 12 1  15 o 74.08226       0.8821477     73.89178       1.232255      74.28249       1.263419  
1 1 1 12 1  16 o 24.58325       0.4204292     24.99389       0.5887554     24.15597       0.6005743 
1 1 1 12 1  17 o 4.085717       0.2188150     4.949777       0.2727728     2.526015       0.3664799 
1 1 1 12 1  18 o 0.6862687      0.2037709     0.6211468      0.2472775     0.8240635      0.3596977 
1 1 1 12 1  19 o 0.3096197      0.2235611     -0.2242762E-01 0.2765133     0.9363400      0.3798857 
1 1 1 12 1  20 o 5.085024       0.2955747     5.392119       0.4080887     4.746152       0.4286829 
1 1 1 12 1  21 o 6.167230       0.3194651     6.569714       0.4395479     5.716553       0.4651196 
1 1 1 12 1  22 f 7.347499       0.3450762     7.652937       0.4796435     7.019777       0.4968333 
1 1 1 12 1  23 o 2.849770       0.3374196     2.918937       0.4610942     2.770029       0.4950834 
1 1 1 12 1  24 o 1.550674       0.3385929     1.598550       0.4626216     1.495440       0.4968992 
1 1 1 12 1  25 o 3.730101       0.3632732     2.909853       0.5035440     4.620361       0.5245941 
1 1 1 12 1  26 o 7.994623       0.4114982     8.513185       0.5796942     7.467925       0.5842249 
1 1 1 12 1  27 o 2.640640       0.3906339     2.456569       0.5441130     2.836426       0.5611607 
1 1 1 12 1  28 o 1.156565       0.5633101     -0.8071276E-01 0.5778140     24.87827       2.530040  
1 1 1 12 1  29 o 1.152741       0.4198408     0.7575786      0.5823554     1.580402       0.6058290 
1 1 1 12 1  30 o -0.5337976     0.4253350     -0.3178050     0.5871505     -0.7722998     0.6169870 
1 1 1 12 1  31 o 0.1023598      0.4413765     0.6017664      0.6282501     -0.3843753     0.6202285 
1 1 1 12 1  32 o 0.6945572      0.4814677     0.7357355      0.6739001     0.6516230      0.6881189 
1 1 1 12 1  33 o 0.1478142      0.4853894     0.2572862      0.6895864     0.4031498E-01  0.6833448 
1 1 1 12 2  0  f 160.5323       2.356007      160.5323       1.665948      ?              ?         
1 1 1 12 2  1  o 346.5929       3.173997      343.0988       4.480013      350.1143       4.497457  
1 1 1 12 2  2  o 407.3190       3.581884      409.2261       5.007080      405.3201       5.126114  
1 1 1 12 2  3  o 133.2211       1.393883      132.9597       1.910553      133.5185       2.038123  
1 1 1 12 2  4  o 12.06701       0.3177260     12.31394       0.4398586     11.79761       0.4594459 
1 1 1 12 2  5  o 47.18413       0.6061478     47.32781       0.8371621     47.02579       0.8787975 
1 1 1 12 2  6  f 22.32655       0.3882332     23.02756       0.5333542     21.53653       0.5662066 
1 1 1 12 2  7  o 1.450661       0.2333689     1.215251       0.3232397     1.706958       0.3372744 
1 1 1 12 2  8  o 88.30128       0.9388731     87.69611       1.328776      88.90462       1.326760  
1 1 1 12 2  9  o 83.89594       0.9037323     83.12826       1.279476      84.66025       1.276670  
1 1 1 12 2  10 o 57.75045       0.6727474     56.30265       1.020250      58.86422       0.8948524 
1 1 1 12 2  11 o 26.32383       0.4380576     27.06532       0.6174601     25.57243       0.6215743 
1 1 1 12 2  12 o 16.50951       0.3352699     16.79899       0.4611563     16.18497       0.4882931 
1 1 1 12 2  13 o 45.12477       0.7291185     44.80953       1.097443      45.37387       0.9755458 
1 1 1 12 2  14 o 100.3481       1.307701      100.5692       1.949832      100.1674       1.762989  
1 1 1 12 2  15 o 57.50804       0.8670565     56.72480       1.299285      58.13689       1.164211  
1 1 1 12 2  16 o 42.89437       0.7245300     42.46643       1.094003      43.22872       0.9669918 
1 1 1 12 2  17 o 39.73127       0.7019027     38.58775       1.062249      40.61749       0.9351369 
1 1 1 12 2  18 o 22.76647       0.5577466     20.57250       0.8602006     24.35790       0.7326170 
1 1 1 12 2  19 o 1.006527       0.4714649     1.211288       0.6804882     0.8175031      0.6538156 
1 1 1 12 2  20 o 4.376240       0.2265784     4.249788       0.2618223     4.753379       0.4521629 
1 1 1 12 2  21 o 0.5637830      0.2520794     0.7050335      0.3244131     0.3485397      0.4004686 
1 1 1 12 2  22 o 6.864882       0.3176392     6.712341       0.4281704     7.051581       0.4736900 
1 1 1 12 2  23 o 1.768694       0.3066154     1.753673       0.4069070     1.788427       0.4663940 
1 1 1 12 2  24 o 1.261309       0.3203381     1.555031       0.4320624     0.9027525      0.4773718 
1 1 1 12 2  25 f 1.271367       0.3341261     0.7867669      0.4539368     1.844357       0.4936028 
1 1 1 12 2  26 o 1.634562       0.3609989     1.711513       0.5013697     1.551718       0.5202104 
1 1 1 12 2  27 f 0.5532919      0.3740705     0.1061175      0.5140810     1.056487       0.5453323 
1 1 1 12 2  28 o 5.229928       0.4094342     5.372988       0.5629678     5.069294       0.5965448 
1 1 1 12 2  29 f 0.8481291      0.4146681     1.031788       0.5729879     0.6461662      0.6008632 
1 1 1 12 2  30 o 1.067433       0.4311166     0.8728192      0.5867040     1.295844       0.6356104 
1 1 1 12 2  31 o -0.6004578     0.4432372     -0.8705444     0.6094019     -0.2970986     0.6458489 
1 1 1 12 2  32 f 0.2948780      0.4774914     0.4578848      0.6570460     0.1124375      0.6951101 
1 1 1 12 2  33 o 0.7025807      0.4888630     0.9693390      0.6669944     0.3929477      0.7185996 
1 1 1 12 3  0  o 14.97646       0.5020450     14.97646       0.3549994     ?              ?         
1 1 1 12 3  1  f 24.25938       0.4168790     25.09697       0.5749468     23.33091       0.6053385 
1 1 1 12 3  2  o 133.6047       1.392090      130.5338       1.905140      137.1228       2.039106  
1 1 1 12 3  3  o 400.9158       3.500550      402.0814       4.863322      399.6627       5.042594  
1 1 1 12 3  4  o 180.4051       1.800930      177.5530       2.441688      183.8078       2.667001  
1 1 1 12 3  5  o 96.37683       1.045779      95.62543       1.436467      97.22421       1.525449  
1 1 1 12 3  6  o 79.92902       0.9024689     81.80961       1.251551      77.89207       1.302543  
1 1 1 12 3  7  f 20.48237       0.3774683     20.63255       0.5193085     20.31414       0.5496221 
1 1 1 12 3  8  o 31.33764       0.4520015     31.80263       0.6428816     30.88308       0.6356335 
1 1 1 12 3  9  o 47.41157       0.5907869     47.36940       0.8403071     47.45279       0.8307722 
1 1 1 12 3  10 o 72.99809       0.8074513     73.77187       1.241384      72.43065       1.063060  
1 1 1 12 3  11 f 70.41344       0.8516712     69.27519       1.191512      71.60248       1.217809  
1 1 1 12 3  12 o 6.330703       0.3801561     7.178282       0.6128380     5.800558       0.4846776 
1 1 1 12 3  13 o 68.01278       0.9707639     67.22954       1.445162      68.65679       1.310439  
1 1 1 12 3  14 o 52.12581       0.8227186     52.72575       1.249448      51.66658       1.093153  
1 1 1 12 3  15 o 2.389932       0.3979656     2.719339       0.6754671     2.214793       0.4925264 
1 1 1 12 3  16 o 26.59896       0.5944787     26.09886       0.9203527     26.95699       0.7787240 
1 1 1 12 3  17 o 12.75141       0.4860358     12.06078       0.7872223     13.17684       0.6178595 
1 1 1 12 3  18 o 1.650452       0.4895017     0.6134754      0.7185660     2.548353       0.6686465 
1 1 1 12 3  19 o 0.1439413      0.4981149     -0.2258064     0.7236226     0.4769268      0.6867079 
1 1 1 12 3  20 o 12.89380       0.5620124     13.08856       0.8184987     12.72006       0.7730574 
1 1 1 12 3  21 o 10.16569       0.3554617     10.76527       0.4971069     9.538363       0.5084835 
1 1 1 12 3  22 o 1.498579       0.2541843     1.393039       0.3019776     1.755113       0.4708030 
1 1 1 12 3  23 f 0.7369412      0.2657510     0.7679107      0.3402597     0.6885023      0.4255413 
1 1 1 12 3  24 o 2.407350       0.2987866     1.979723       0.3917679     3.001907       0.4619480 
1 1 1 12 3  25 o 0.3684788      0.3171350     0.1697788      0.4206779     0.6300678      0.4826813 
1 1 1 12 3  26 o 1.098163       0.3388267     1.079365       0.4393189     1.125761       0.5323054 
1 1 1 12 3  27 o 0.5388464      0.3587384     0.7074618      0.4734735     0.3115868      0.5496779 
1 1 1 12 3  28 o -0.5640331E-01 0.3740359     0.3004136E-01  0.4843909     -0.1840676     0.5886561 
1 1 1 12 3  29 o 0.3565954      0.4069752     0.2473035      0.5298694     0.5138215      0.6355317 
1 1 1 12 3  30 o 0.8509426      0.4219424     1.435141       0.5591744     0.7845622E-01  0.6430021 
1 1 1 12 3  31 o 0.8674857E-01  0.4463251     0.3605534      0.5919902     -0.2738792     0.6793969 
1 1 1 12 3  32 o -0.1978700     0.4651541     0.1551482      0.6216893     -0.6468341     0.7011012 
1 1 1 12 3  33 o -0.1094476     0.4810334     -0.4226325     0.6368505     0.3065963      0.7340181 
1 1 1 12 4  0  o 76.77634       1.210394      76.77634       0.8558778     ?              ?         
1 1 1 12 4  1  o 54.19171       0.6614278     52.43041       0.9261946     56.02481       0.9448858 
1 1 1 12 4  2  o 19.61856       0.3855210     19.69695       0.5291052     19.52984       0.5628789 
1 1 1 12 4  3  f 94.25012       1.041870      94.33316       1.431820      94.15668       1.518886  
1 1 1 12 4  4  o 237.6932       2.289648      236.3130       3.137914      239.2647       3.348430  
1 1 1 12 4  5  o 35.15227       0.5095929     33.58079       0.6915982     37.01891       0.7537531 
1 1 1 12 4  6  f 20.81503       0.3753531     21.08427       0.5315891     20.54731       0.5300731 
1 1 1 12 4  7  o 82.32031       0.9031630     85.74329       1.296999      79.09801       1.258406  
1 1 1 12 4  8  o 78.46834       0.8752252     77.99480       1.239200      78.93968       1.236316  
1 1 1 12 4  9  o 51.80636       0.6575707     51.33615       0.9744676     52.19948       0.8910165 
1 1 1 12 4  10 o 17.21980       0.3526336     17.69890       0.5363060     16.85493       0.4680349 
1 1 1 12 4  11 o 17.54346       0.3583234     16.74061       0.4893309     18.47172       0.5261629 
1 1 1 12 4  12 o 20.37346       0.5220844     21.62502       0.8332603     19.56460       0.6698745 
1 1 1 12 4  13 o 3.448066       0.4063682     3.045926       0.6767070     3.674869       0.5082026 
1 1 1 12 4  14 o 31.81161       0.6329998     32.33257       0.9825159     31.44192       0.8276640 
1 1 1 12 4  15 o 32.20799       0.6547546     32.33369       1.008762      32.11649       0.8606915 
1 1 1 12 4  16 o 10.07160       0.4827367     8.911048       0.7818770     10.78652       0.6136664 
1 1 1 12 4  17 o 4.053314       0.4533152     4.298968       0.7507263     3.912344       0.5686992 
1 1 1 12 4  18 o 6.958476       0.5327458     6.477442       0.7677460     7.405200       0.7398601 
1 1 1 12 4  19 o 13.88136       0.6045246     13.94284       0.8629269     13.82211       0.8471454 
1 1 1 12 4  20 o 8.515624       0.5654368     8.688992       0.8217136     8.359704       0.7792704 
1 1 1 12 4  21 o 9.565036       0.5797974     10.12991       0.8651338     9.104459       0.7811913 
1 1 1 12 4  22 o 6.615591       0.4156322     7.434659       0.8468188     6.355660       0.4770455 
1 1 1 12 4  23 o 10.89928       0.3257987     10.47546       0.3905692     11.86884       0.5907323 
1 1 1 12 4  24 o 1.875171       0.2573541     1.974404       0.3163320     1.680922       0.4425808 
1 1 1 12 4  25 o 0.6875197      0.2714938     0.3978118      0.3291242     1.304441       0.4802802 
1 1 1 12 4  26 o 1.806393       0.3358763     2.151501       0.4393404     1.320991       0.5210436 
1 1 1 12 4  27 o -0.1479032     0.3540429     0.1514761      0.4590592     -0.5873758     0.5561907 
1 1 1 12 4  28 o 0.9363028      0.3810324     0.8842160      0.4998124     1.008581       0.5887725 
1 1 1 12 4  29 o 0.4897539      0.4010220     0.1983120      0.5245770     0.8995849      0.6220649 
1 1 1 12 4  30 o 0.2510399      0.4117535     0.3889559      0.5293104     0.3968018E-01  0.6552608 
1 1 1 12 4  31 o 0.4896315E-01  0.4440012     0.1486051      0.5858648     -0.8548624E-01 0.6805433 
1 1 1 12 4  32 o 0.8549898      0.5057917     0.5816216      0.6405504     1.307700       0.8243080 
1 1 1 12 4  33 o -0.5497714     0.4806725     -0.4416934     0.6335859     -0.6963279     0.7378009 
1 1 1 12 5  0  o 225.0055       3.008971      225.0055       2.127664      ?              ?         
1 1 1 12 5  1  o 171.5268       1.686506      170.9888       2.386554      172.0635       2.383606  
1 1 1 12 5  2  o 361.6353       3.182927      354.8832       4.450165      368.7072       4.554320  
1 1 1 12 5  3  o 294.2975       2.670193      291.8445       3.787661      296.7210       3.764888  
1 1 1 12 5  4  o 105.5354       1.142515      106.1984       1.573440      104.7959       1.661690  
1 1 1 12 5  5  o 32.06891       0.4744663     32.43856       0.6738867     31.70554       0.6681435 
1 1 1 12 5  6  o 32.47010       0.4804876     33.54929       0.6848828     31.42410       0.6742657 
1 1 1 12 5  7  o 4.622835       0.2946906     4.816946       0.4210975     4.436528       0.4125450 
1 1 1 12 5  8  o 80.18336       0.8977406     80.85210       1.278870      79.53368       1.260523  
1 1 1 12 5  9  o 224.2081       2.181481      229.0459       3.250801      220.2448       2.942367  
1 1 1 12 5  10 o 112.4275       1.213794      113.7779       1.808788      111.3213       1.637146  
1 1 1 12 5  11 o 200.1844       2.055234      197.5719       2.826060      203.1173       2.994313  
1 1 1 12 5  12 o 159.5898       1.952695      160.1183       2.904449      159.1540       2.637820  
1 1 1 12 5  13 o 81.67597       1.136639      81.10779       1.698223      82.13707       1.529832  
1 1 1 12 5  14 o 17.66219       0.5389367     17.25074       0.8549079     17.93354       0.6942665 
1 1 1 12 5  15 o 10.07381       0.4916836     8.713542       0.8042176     10.88576       0.6213335 
1 1 1 12 5  16 o 59.03493       0.9382340     58.29261       1.417074      59.61434       1.251943  
1 1 1 12 5  17 o 35.65364       0.7599193     35.31808       1.094618      35.96584       1.055809  
1 1 1 12 5  18 o 29.23651       0.7242933     27.60941       1.020210      30.89001       1.028451  
1 1 1 12 5  19 o 7.217739       0.5774855     8.322110       0.8330256     6.195950       0.8012751 
1 1 1 12 5  20 o 27.22908       0.7650433     26.01797       1.017667      28.80308       1.160151  
1 1 1 12 5  21 o 6.775367       0.5796723     7.364481       0.8499852     6.263136       0.7925825 
1 1 1 12 5  22 o 4.253744       0.5697632     3.356819       0.8506138     4.983647       0.7673391 
1 1 1 12 5  23 o 0.1342802      0.2000339     0.1693637      0.2273350     0.1396322E-01  0.4209963 
1 1 1 12 5  24 o 0.6560200      0.2348559     0.6363236      0.2816062     0.7010152      0.4256301 
1 1 1 12 5  25 o 0.2264957      0.2596745     0.3292071      0.3131122     0.2203449E-03  0.4647392 
1 1 1 12 5  26 o 0.3690824      0.2935625     0.1389740      0.3564647     0.8540763      0.5175096 
1 1 1 12 5  27 o -0.8627184E-01 0.3077009     0.1147851      0.3733534     -0.5120113     0.5432910 
1 1 1 12 5  28 o 3.107986       0.3523944     2.456938       0.4377358     4.306970       0.5940347 
1 1 1 12 5  29 f 0.9991333      0.3611786     0.6397970      0.4436294     1.705545       0.6220121 
1 1 1 12 5  30 o 1.517219       0.4160372     1.142749       0.5369238     2.079855       0.6581399 
1 1 1 12 5  31 o 0.6385386      0.4432151     0.4266503      0.5751379     0.9483647      0.6954685 
1 1 1 12 5  32 o -0.3615296     0.4597848     -0.3211408     0.6042461     -0.4170772     0.7086233 
1 1 1 12 6  0  o 50.32343       0.9057489     50.32343       0.6404612     ?              ?         
1 1 1 12 6  1  o 3.773372       0.3048705     3.374334       0.4299512     4.176900       0.4323630 
1 1 1 12 6  2  o 59.06021       0.7221265     58.65537       1.017393      59.47124       1.025133  
1 1 1 12 6  3  o 56.70940       0.6812259     56.81685       0.9906263     56.61300       0.9382998 
1 1 1 12 6  4  o 201.2868       1.919598      203.3600       2.792702      199.4300       2.642930  
1 1 1 12 6  5  f 35.72449       0.5105019     35.41586       0.7440578     35.99900       0.7017184 
1 1 1 12 6  6  o 87.54264       0.9763106     88.58430       1.389390      86.52660       1.372193  
1 1 1 12 6  7  o 47.58461       0.6271340     49.26125       0.9045872     46.03296       0.8702140 
1 1 1 12 6  8  o 82.25675       0.9299986     81.89227       1.320623      82.61533       1.309876  
1 1 1 12 6  9  o 15.85531       0.3814600     16.88339       0.5820261     15.08116       0.5050565 
1 1 1 12 6  10 o 18.03399       0.3875355     18.36800       0.5805465     17.76551       0.5204767 
1 1 1 12 6  11 o 18.56608       0.3740419     18.29282       0.5658644     18.77813       0.4984718 
1 1 1 12 6  12 o 16.12637       0.3325627     15.32844       0.4931062     16.79213       0.4504170 
1 1 1 12 6  13 o 37.43911       0.7081606     37.73368       1.087685      37.22236       0.9329979 
1 1 1 12 6  14 o 70.27522       1.042617      69.27097       1.567161      71.07268       1.396515  
1 1 1 12 6  15 o 7.928090       0.5110441     8.142958       0.8147127     7.788702       0.6561922 
1 1 1 12 6  16 f 18.65563       0.5806357     18.66547       0.9316084     18.64939       0.7424882 
1 1 1 12 6  17 o 5.380023       0.5679752     6.407641       0.8358195     4.498356       0.7741924 
1 1 1 12 6  18 o 8.047661       0.5800030     7.439075       0.8531508     8.570649       0.7908804 
1 1 1 12 6  19 o 7.543657       0.5796264     7.030666       0.8301038     8.031750       0.8097078 
1 1 1 12 6  20 f 0.7342920      0.5622442     0.6698845      0.8284859     0.7892800      0.7655097 
1 1 1 12 6  21 o 2.506041       0.5656666     3.348451       0.8338366     1.787816       0.7699268 
1 1 1 12 6  22 o 1.629308       0.5556850     2.160427       0.8369834     1.210674       0.7430841 
1 1 1 12 6  23 o 2.711797       0.2743984     3.162102       0.3453932     1.941252       0.4518136 
1 1 1 12 6  24 o 1.402153       0.2393560     1.410297       0.2952577     1.386540       0.4088017 
1 1 1 12 6  25 o 0.3797172      0.2647516     0.3403504      0.3207598     0.4638604      0.4689482 
1 1 1 12 6  26 o 2.165698       0.3018835     2.087836       0.3715799     2.316872       0.5177612 
1 1 1 12 6  27 o 1.481719       0.3335148     1.593011       0.4113637     1.268238       0.5697340 
1 1 1 12 6  28 f 0.7846863      0.3355414     0.8680298      0.4094121     0.6141715      0.5856066 
1 1 1 12 6  29 f 1.227958       0.3634065     1.157338       0.4496380     1.360982       0.6171144 
1 1 1 12 6  30 o 0.9383116      0.3860430     1.378954       0.4776625     0.1084549      0.6555108 
1 1 1 12 6  31 o 0.2769262      0.3996554     0.5522493      0.4924199     -0.2544850     0.6841158 
1 1 1 12 6  32 o 0.6578088      0.4209555     0.1635455      0.5209189     1.588052       0.7146432 
1 1 1 12 7  0  o 300.1659       3.940885      300.1659       2.786626      ?              ?         
1 1 1 12 7  1  f 248.1545       2.344002      248.8235       3.320908      247.4903       3.308964  
1 1 1 12 7  2  o 317.5475       2.847262      319.7467       4.131204      315.5576       3.929628  
1 1 1 12 7  3  o 229.9319       2.166123      229.2930       3.154847      230.5018       2.979398  
1 1 1 12 7  4  f 16.59757       0.3881689     16.40953       0.5666194     16.76386       0.5328436 
1 1 1 12 7  5  o 36.02660       0.5231473     35.09235       0.7625309     36.85737       0.7190649 
1 1 1 12 7  6  o 26.12829       0.4552312     25.60567       0.6656097     26.58760       0.6239920 
1 1 1 12 7  7  o 13.13829       0.3647578     13.16272       0.5299730     13.11631       0.5027906 
1 1 1 12 7  8  o 59.63203       0.7671734     60.10979       1.137634      59.23355       1.038962  
1 1 1 12 7  9  f 36.10495       0.5579438     36.35356       0.8304408     35.90039       0.7532920 
1 1 1 12 7  10 o 2.881686       0.3103851     2.662401       0.4681722     3.053654       0.4145963 
1 1 1 12 7  11 o 3.340103       0.2866071     3.031482       0.4361907     3.574580       0.3802009 
1 1 1 12 7  12 o 11.43382       0.3047290     10.39103       0.4913193     12.08574       0.3884752 
1 1 1 12 7  13 o 65.34990       0.8010483     66.04910       1.205766      64.79750       1.071746  
1 1 1 12 7  14 o 10.00788       0.5327981     10.89470       0.8526518     9.439781       0.6824380 
1 1 1 12 7  15 o 5.452074       0.5053101     5.813537       0.8081272     5.220019       0.6475047 
1 1 1 12 7  16 o 2.986274       0.5056637     3.245166       0.8055280     2.817910       0.6496013 
1 1 1 12 7  17 o 2.494124       0.5818095     1.772365       0.8153089     3.243043       0.8305076 
1 1 1 12 7  18 o 15.38343       0.6400364     15.41664       0.9242988     15.35283       0.8871406 
1 1 1 12 7  19 o 8.356625       0.6056780     8.911380       0.8807798     7.858958       0.8342308 
1 1 1 12 7  20 o 4.967553       0.5955245     4.447227       0.8705255     5.425263       0.8164687 
1 1 1 12 7  21 f 3.131171       0.5875672     4.004351       0.8735599     2.409773       0.7940150 
1 1 1 12 7  22 o 1.319928       0.2311838     1.429378       0.2842577     1.106095       0.3973192 
1 1 1 12 7  23 o 2.064222       0.3008285     2.086577       0.3819318     2.027689       0.4882601 
1 1 1 12 7  24 o 4.810605       0.3281386     4.956800       0.4684286     4.669742       0.4598077 
1 1 1 12 7  25 o 10.75364       0.3609267     10.40736       0.4657619     11.27412       0.5710295 
1 1 1 12 7  26 o 2.362645       0.3192202     2.852796       0.4002607     1.506024       0.5291425 
1 1 1 12 7  27 o 1.912350       0.3271061     1.777257       0.4077841     2.156148       0.5478099 
1 1 1 12 7  28 o 0.9409205      0.3508812     0.5701715      0.4315902     1.663706       0.6026102 
1 1 1 12 7  29 o 0.4534629      0.3686231     0.2337653      0.4582611     0.8562299      0.6204792 
1 1 1 12 7  30 o 0.3034647      0.3830455     0.3134574      0.4752926     0.2849476      0.6470025 
1 1 1 12 7  31 f -0.4694150     0.3952570     -0.1115771     0.4878406     -1.153173      0.6743511 
1 1 1 12 7  32 o 0.2132754      0.4108785     -0.9093370E-01 0.5127268     0.7592334      0.6868777 
1 1 1 12 8  0  o 17.17668       0.5659384     17.17668       0.4001788     ?              ?         
1 1 1 12 8  1  o 32.14951       0.5141571     31.35296       0.7436858     32.87887       0.7116291 
1 1 1 12 8  2  f 110.5066       1.198977      109.1251       1.690164      111.9061       1.701106  
1 1 1 12 8  3  o 58.79596       0.7289978     59.06294       1.064088      58.55983       1.000742  
1 1 1 12 8  4  o 28.68782       0.4893051     28.83868       0.7148690     28.55486       0.6711611 
1 1 1 12 8  5  o 54.37533       0.6889244     53.98445       1.010279      54.71507       0.9418852 
1 1 1 12 8  6  o 116.6944       1.226787      114.2060       1.778173      118.9547       1.694713  
1 1 1 12 8  7  o 60.96083       0.7472630     61.12580       1.098282      60.81863       1.019670  
1 1 1 12 8  8  o 77.13505       0.9091162     78.17342       1.386873      76.35268       1.203837  
1 1 1 12 8  9  o 53.87549       0.7082461     53.95118       1.086195      53.81950       0.9341376 
1 1 1 12 8  10 o 61.60491       0.7973838     61.35439       1.180458      61.81514       1.081386  
1 1 1 12 8  11 o 50.99995       0.6978045     51.81753       1.038374      50.32668       0.9422963 
1 1 1 12 8  12 f 9.771479       0.3229931     9.563434       0.5299427     9.894439       0.4074101 
1 1 1 12 8  13 o 22.95385       0.4213842     22.58039       0.6793368     23.18740       0.5372232 
1 1 1 12 8  15 o 40.43369       0.6406785     39.85206       0.8955055     41.04356       0.9169887 
1 1 1 12 8  16 o 15.12293       0.3896361     15.61686       0.5406071     14.58899       0.5620772 
1 1 1 12 8  17 o 6.428992       0.3911466     5.872942       0.8653462     6.571773       0.4384993 
1 1 1 12 8  18 o 13.27565       0.6662593     13.58295       0.9662956     12.99716       0.9198828 
1 1 1 12 8  19 o 9.313394       0.6308079     8.745333       0.9209552     9.815442       0.8657920 
1 1 1 12 8  20 o 14.34739       0.3960636     14.09369       0.5172811     14.70685       0.6157317 
1 1 1 12 8  21 o 6.129230       0.3262669     6.173077       0.4332206     6.071769       0.4959341 
1 1 1 12 8  22 o 2.963000       0.3223041     3.004776       0.4283219     2.908467       0.4893674 
1 1 1 12 8  23 o 3.240432       0.3121136     3.379771       0.4527250     3.114217       0.4308757 
1 1 1 12 8  24 o 1.736754       0.3266222     2.150021       0.4768865     1.371600       0.4482679 
1 1 1 12 8  25 o 0.8635489      0.3481892     0.5023847      0.5056784     1.189156       0.4801413 
1 1 1 12 8  26 o -0.2322940     0.3128092     -0.5747066E-01 0.3930194     -0.5344488     0.5166889 
1 1 1 12 8  27 f -0.1338790     0.3312349     -0.1731804     0.4114681     -0.6151691E-01 0.5583258 
1 1 1 12 8  28 o 0.6005964      0.3481514     0.9357510      0.4325258     -0.1613911E-01 0.5867309 
1 1 1 12 8  29 o 1.527245       0.3803671     1.819061       0.4791089     1.029759       0.6255613 
1 1 1 12 8  30 o 0.5847732      0.3941073     0.9059111      0.4986654     0.5042800E-01  0.6432419 
1 1 1 12 8  31 o -0.1901724     0.3996048     -0.3750192     0.4945202     0.1576343      0.6783396 
1 1 1 12 8  32 o -0.7128454     0.4735347     -0.3707289     0.5875046     -1.347235      0.8000226 
1 1 1 12 9  0  o 34.49476       0.7532136     34.49476       0.5326025     ?              ?         
1 1 1 12 9  1  o 102.6830       1.082805      101.1163       1.526047      104.2716       1.536643  
1 1 1 12 9  2  o 52.89095       0.6867888     53.40479       1.004236      52.43944       0.9413436 
1 1 1 12 9  3  o 35.97983       0.5560806     36.44922       0.8154672     35.57185       0.7602651 
1 1 1 12 9  4  o 35.48299       0.5479019     35.11166       0.8050242     35.80342       0.7478333 
1 1 1 12 9  5  o 71.22166       0.8408889     70.54813       1.228208      71.81593       1.153681  
1 1 1 12 9  6  o 20.81622       0.4472913     21.37100       0.6609666     20.34750       0.6075366 
1 1 1 12 9  7  o 26.86245       0.5090078     27.31668       0.7891700     26.53887       0.6660750 
1 1 1 12 9  8  o 32.47034       0.5442637     32.82143       0.8332842     32.20912       0.7187614 
1 1 1 12 9  9  o 73.98399       0.8956789     74.96429       1.367649      73.24780       1.185212  
1 1 1 12 9  10 o 61.86526       0.7915930     60.83992       1.198376      62.65897       1.054364  
1 1 1 12 9  11 o 19.51199       0.4506115     18.87326       0.6977203     19.96905       0.5902091 
1 1 1 12 9  12 f 4.943053       0.3520482     4.949718       0.5637088     4.938792       0.4507616 
1 1 1 12 9  13 o 9.957054       0.6462850     9.909534       0.6472712     25.51612       11.71223  
1 1 1 12 9  14 o 25.72851       0.4769590     25.90684       0.7600462     25.61265       0.6125973 
1 1 1 12 9  15 o 12.93743       0.3614503     12.67793       0.6095783     13.07814       0.4488737 
1 1 1 12 9  16 o 5.947109       0.3388643     5.885947       0.5247624     5.990854       0.4438007 
1 1 1 12 9  17 o 4.637452       0.3215414     5.132374       0.5083242     4.307336       0.4151503 
1 1 1 12 9  18 o 9.841146       0.3656254     9.548065       0.5400820     10.08911       0.4967734 
1 1 1 12 9  19 f 10.18719       0.3682346     9.731997       0.5430717     10.57458       0.5009943 
1 1 1 12 9  20 o 7.431471       0.3466222     7.153139       0.5112588     7.668239       0.4715421 
1 1 1 12 9  21 o 3.883374       0.3239505     4.353140       0.4729531     3.468191       0.4446280 
1 1 1 12 9  22 o 7.419654       0.3607895     7.835162       0.5197122     7.033134       0.5012550 
1 1 1 12 9  23 o 1.682003       0.3374790     1.715679       0.4787017     1.648727       0.4758458 
1 1 1 12 9  24 o 2.127144       0.3580570     1.698861       0.5168934     2.522239       0.4964625 
1 1 1 12 9  25 o 2.640774       0.3812908     2.898062       0.5551590     2.411039       0.5245916 
1 1 1 12 9  26 o 3.662325       0.3981416     3.634313       0.5703578     3.688947       0.5560300 
1 1 1 12 9  27 o 0.9402882      0.3490117     0.4289214      0.4443631     1.763681       0.5638651 
1 1 1 12 9  28 o 1.260263       0.3747184     0.8895564      0.4734892     1.881575       0.6129849 
1 1 1 12 9  29 o 0.4331640      0.3798652     0.4941650      0.4765625     0.3268744      0.6290671 
1 1 1 12 9  30 f 0.9956552      0.3958793     1.443350       0.4970554     0.2190332      0.6546646 
1 1 1 12 9  31 o 1.036612       0.4215444     1.276758       0.5420865     0.6692346      0.6704821 
1 1 1 12 10 0  o 329.4374       4.207397      329.4374       2.975079      ?              ?         
1 1 1 12 10 1  o 216.9034       2.044279      216.4506       2.888358      217.3578       2.893744  
1 1 1 12 10 2  o 138.7297       1.401874      140.2281       1.990159      137.2541       1.975026  
1 1 1 12 10 3  o 72.06401       0.8627710     71.62543       1.258120      72.45336       1.185409  
1 1 1 12 10 4  o 71.83936       0.8601316     71.11292       1.250113      72.49240       1.185294  
1 1 1 12 10 5  f 54.52160       0.7182156     54.68285       1.053559      54.38160       0.9816681 
1 1 1 12 10 6  f 77.87160       0.9131507     78.86330       1.344429      77.02231       1.244170  
1 1 1 12 10 7  o 97.42776       1.113884      97.64262       1.689680      97.26263       1.481341  
1 1 1 12 10 8  o 116.9797       1.291983      118.0540       1.961519      116.1565       1.717065  
1 1 1 12 10 9  o 12.61114       0.4303223     11.80532       0.6683352     13.18178       0.5624149 
1 1 1 12 10 10 o 11.62972       0.4227787     11.36544       0.6478474     11.82575       0.5579680 
1 1 1 12 10 11 o 14.50473       0.4433545     14.73038       0.6855517     14.34250       0.5812699 
1 1 1 12 10 12 o 29.06975       0.5377508     28.38016       0.8197651     29.59064       0.7124634 
1 1 1 12 10 13 f 10.06150       0.3774661     10.34923       0.6434627     9.910534       0.4660855 
1 1 1 12 10 14 o 14.71838       0.4011452     15.28766       0.6900449     14.42778       0.4930094 
1 1 1 12 10 15 o 13.56742       0.3931364     13.05592       0.6587275     13.85040       0.4899620 
1 1 1 12 10 16 o 5.451922       0.3428116     5.228439       0.5826268     5.570261       0.4239688 
1 1 1 12 10 17 o 1.988113       0.3450514     1.492118       0.5477223     2.314485       0.4443015 
1 1 1 12 10 18 o 0.8473311      0.3311020     0.3480203      0.5287823     1.169357       0.4246558 
1 1 1 12 10 19 o 7.317990       0.3725471     7.694340       0.5724865     7.041544       0.4906521 
1 1 1 12 10 20 f 6.091825       0.3754892     6.230585       0.5645871     5.981771       0.5028096 
1 1 1 12 10 21 o 0.7728148      0.3449829     0.9908971      0.5185089     0.5995968      0.4621068 
1 1 1 12 10 22 o 0.1843170E-01  0.3507205     0.8740963E-01  0.5219743     -0.3833973E-01 0.4735425 
1 1 1 12 10 23 o 6.268729       0.3906555     6.460196       0.5816967     6.111429       0.5272484 
1 1 1 12 10 24 o 7.833881       0.4209038     7.076668       0.6079078     8.531146       0.5833473 
1 1 1 12 10 25 o 6.925454       0.4299317     6.972859       0.6190871     6.881294       0.5975170 
1 1 1 12 10 26 o 2.394528       0.4129812     2.474720       0.6039115     2.324084       0.5660160 
1 1 1 12 10 27 o 2.750979       0.4344071     2.727789       0.6240850     2.772775       0.6050460 
1 1 1 12 10 28 o 1.119440       0.3870303     1.524162       0.4915885     0.4595246      0.6277221 
1 1 1 12 10 29 o 1.046308       0.4000294     0.9340825      0.5095034     1.226671       0.6459134 
1 1 1 12 10 30 o 0.8284299      0.4107893     0.7570928      0.5203968     0.9463741      0.6691374 
1 1 1 12 10 31 o 0.2563131      0.4216709     0.1291863E-01  0.5373912     0.6462568      0.6801993 
1 1 1 12 11 0  o 2.789941       0.5202352     2.789941       0.3678619     ?              ?         
1 1 1 12 11 1  f 7.945769       0.3992747     7.898422       0.5595027     7.994904       0.5699621 
1 1 1 12 11 2  f 13.34606       0.4287562     13.32214       0.6044378     13.37027       0.6082861 
1 1 1 12 11 3  o 25.84058       0.5051911     25.82805       0.7243215     25.85245       0.7049677 
1 1 1 12 11 4  o 33.50624       0.5750028     34.36421       0.8588926     32.80938       0.7740610 
1 1 1 12 11 5  o 50.04066       0.6951421     50.22356       1.021066      49.88266       0.9490392 
1 1 1 12 11 6  o 50.75445       0.7280656     51.28547       1.112310      50.35640       0.9630287 
1 1 1 12 11 7  o 20.71402       0.5065424     21.74244       0.7978249     20.01950       0.6556411 
1 1 1 12 11 8  o 11.43124       0.4492559     11.15677       0.7087988     11.61555       0.5808281 
1 1 1 12 11 9  o 2.412639       0.4111621     1.826181       0.6344939     2.837184       0.5398471 
1 1 1 12 11 10 o 5.605502       0.4179146     5.514951       0.6557977     5.667419       0.5422902 
1 1 1 12 11 11 o 6.191754       0.4307854     6.736179       0.6649810     5.798056       0.5654859 
1 1 1 12 11 12 f 15.78643       0.4788604     14.88479       0.7289239     16.47099       0.6351427 
1 1 1 12 11 13 o 24.05400       0.5249532     23.94872       0.8132082     24.12921       0.6873528 
1 1 1 12 11 14 o 16.23090       0.4312879     16.41121       0.7350445     16.13622       0.5326071 
1 1 1 12 11 15 o 1.482163       0.3437112     1.760365       0.6082102     1.351629       0.4166149 
1 1 1 12 11 16 o 5.424718       0.3617947     5.355524       0.6304411     5.458696       0.4417828 
1 1 1 12 11 17 o 14.68237       0.4229475     14.13290       0.6939052     15.00717       0.5335043 
1 1 1 12 11 18 o 14.26393       0.4465694     14.09804       0.6837655     14.38732       0.5897104 
1 1 1 12 11 19 o 3.546266       0.4030348     3.540675       0.7148576     3.548871       0.4879869 
1 1 1 12 11 20 o 2.501598       0.3679525     2.223400       0.5691522     2.701365       0.4822947 
1 1 1 12 11 21 o 3.921789       0.3829163     3.650122       0.5782573     4.133942       0.5110076 
1 1 1 12 11 22 o 0.3271508      0.3744069     0.8480835      0.5614439     -0.9004039E-01 0.5024388 
1 1 1 12 11 23 o 0.6287789      0.3820062     0.5457816      0.5722188     0.6955080      0.5130827 
1 1 1 12 11 24 o 1.052698       0.4001073     0.1819548      0.5833439     1.826230       0.5498176 
1 1 1 12 11 25 o 0.1902137      0.4006992     0.5784175      0.5905502     -0.1409942     0.5454780 
1 1 1 12 11 26 f 0.5632830      0.4271807     0.4044298      0.6275077     0.7004834      0.5831750 
1 1 1 12 11 27 o 0.6566778      0.4446371     1.163555       0.6623318     0.2408335      0.5999148 
1 1 1 12 11 28 o 1.282871       0.4755289     1.415038       0.6945423     1.166245       0.6524304 
1 1 1 12 11 29 o 0.8984336      0.4023952     0.7594338      0.5090711     1.129913       0.6569432 
1 1 1 12 11 30 o 0.9079069      0.4304551     0.6467863      0.5514706     1.315078       0.6886371 
1 1 1 12 12 0  f 35.88938       0.8448686     35.88938       0.5974123     ?              ?         
1 1 1 12 12 1  o 22.16914       0.4995510     21.39073       0.7121127     22.92337       0.7009628 
1 1 1 12 12 2  o 17.88516       0.4754301     17.38265       0.6688826     18.39825       0.6758916 
1 1 1 12 12 3  o 85.81893       0.9845295     84.78874       1.397283      86.83465       1.387439  
1 1 1 12 12 4  f 78.10073       0.9142044     78.41370       1.299750      77.79428       1.286118  
1 1 1 12 12 5  o 44.79200       0.6805146     46.17199       1.015897      43.66874       0.9165401 
1 1 1 12 12 6  o 25.89248       0.5690592     25.63820       0.8729620     26.08037       0.7504117 
1 1 1 12 12 7  o 4.951344       0.4551543     5.049963       0.7047939     4.880788       0.5961351 
1 1 1 12 12 8  o 2.916917       0.4407615     3.152638       0.6913897     2.755528       0.5720835 
1 1 1 12 12 9  o 22.29532       0.5448994     23.75415       0.8531389     21.29017       0.7081617 
1 1 1 12 12 10 o 38.76981       0.6513477     38.09578       1.003000      39.26136       0.8565325 
1 1 1 12 12 11 o 49.52036       0.7429340     49.73455       1.129169      49.35686       0.9865486 
1 1 1 12 12 12 o 26.78655       0.5690623     27.20103       0.8767128     26.48479       0.7480626 
1 1 1 12 12 13 o 3.170999       0.3854690     3.536840       0.6569850     2.978947       0.4760129 
1 1 1 12 12 14 o 4.032496       0.3792899     4.189187       0.6657676     3.957203       0.4615071 
1 1 1 12 12 15 o 0.3238187      0.3547431     0.4499905      0.6373378     0.2671845      0.4270003 
1 1 1 12 12 16 o 3.216503       0.3718253     3.205581       0.6449779     3.221941       0.4550536 
1 1 1 12 12 17 o 1.998658       0.3598942     2.057123       0.6344240     1.970916       0.4370157 
1 1 1 12 12 18 o 6.916215       0.3824365     7.516261       0.6421564     6.586418       0.4760713 
1 1 1 12 12 19 o 5.037692       0.3957157     5.554059       0.6285139     4.698576       0.5093424 
1 1 1 12 12 20 f 1.571748       0.3785771     1.948704       0.6064184     1.331017       0.4846112 
1 1 1 12 12 21 o 1.424999       0.3860512     1.860310       0.6123120     1.137795       0.4973576 
1 1 1 12 12 22 o 0.7966005      0.3891141     1.004193       0.5945709     0.6410791      0.5146267 
1 1 1 12 12 23 o -0.1499132     0.4055502     -1.104709      0.6184602     0.5703634      0.5371630 
1 1 1 12 12 24 o 0.8727026      0.4200163     0.4648492      0.6178669     1.223092       0.5726880 
1 1 1 12 12 25 o 2.362228       0.4349061     2.887024       0.6495135     1.935708       0.5855481 
1 1 1 12 12 26 o 2.174995       0.4509650     2.454312       0.6837107     1.959900       0.5999823 
1 1 1 12 12 27 o 0.1976013      0.4639967     0.2702110      0.6950125     0.1392170      0.6232228 
1 1 1 12 12 28 o 0.3936570      0.4832486     -0.8040919     0.7307735     1.324468       0.6442147 
1 1 1 12 12 29 o 0.5757934      0.4867003     0.1629771      0.7300483     0.9060498      0.6529784 
1 1 1 12 12 30 o -0.2120417     0.4467914     0.2446596E-01  0.5749961     -0.5724463     0.7098025 
1 1 1 12 13 0  o 0.4212195      0.6163455     0.4212195      0.4358221     ?              ?         
1 1 1 12 13 1  o 13.59957       0.4824535     13.32223       0.6819401     13.87748       0.6826449 
1 1 1 12 13 2  o 34.01194       0.6057508     33.23732       0.8621335     34.76719       0.8512914 
1 1 1 12 13 3  o 33.52390       0.6010393     32.48804       0.8529806     34.54541       0.8470464 
1 1 1 12 13 4  o 80.79304       0.9609437     78.20919       1.354526      83.41114       1.363477  
1 1 1 12 13 5  o 29.86244       0.5889368     29.30597       0.8709086     30.33133       0.7994384 
1 1 1 12 13 6  o 44.54174       0.6948270     44.03969       1.026431      44.96639       0.9440032 
1 1 1 12 13 7  o 4.748854       0.4720032     5.135909       0.7552822     4.500824       0.6046084 
1 1 1 12 13 8  o 4.604934       0.4657545     4.531365       0.7396095     4.653281       0.5995703 
1 1 1 12 13 9  o 7.786620       0.4804376     7.820451       0.7505539     7.763135       0.6253395 
1 1 1 12 13 10 f 17.84364       0.5346048     16.15228       0.8095676     19.15153       0.7119043 
1 1 1 12 13 11 o 21.37261       0.5457546     22.43580       0.8419304     20.60212       0.7167263 
1 1 1 12 13 12 o 14.93824       0.5032215     15.39416       0.7805517     14.61395       0.6582912 
1 1 1 12 13 13 o 1.991532       0.3944818     1.599495       0.6595430     2.209898       0.4922341 
1 1 1 12 13 14 o 3.787335       0.3931400     3.933667       0.6782864     3.713305       0.4824421 
1 1 1 12 13 15 o 21.81745       0.4926040     21.73385       0.8161928     21.86535       0.6178142 
1 1 1 12 13 16 o 10.92212       0.4300089     10.79029       0.7227935     10.99434       0.5349832 
1 1 1 12 13 17 o 7.715591       0.4118610     7.848137       0.6937012     7.643433       0.5118350 
1 1 1 12 13 18 o 7.245633       0.4006267     8.307450       0.6725965     6.661758       0.4987573 
1 1 1 12 13 19 o 6.116401       0.3889504     6.057067       0.6578670     6.148287       0.4822676 
1 1 1 12 13 20 o 3.600494       0.4173996     3.383527       0.6712016     3.737308       0.5329950 
1 1 1 12 13 21 o 3.339617       0.4089906     3.219458       0.6346411     3.424966       0.5348718 
1 1 1 12 13 22 o 2.029554       0.4097497     2.223322       0.6388513     1.894134       0.5340714 
1 1 1 12 13 23 o 0.9677341      0.5850197     0.3753736      0.8146564     1.598485       0.8406409 
1 1 1 12 13 24 o -0.6393034E-01 0.4257962     0.1154179      0.6490481     -0.1994367     0.5641677 
1 1 1 12 13 25 o 1.122975       0.4498573     1.139241       0.6834164     1.110538       0.5975778 
1 1 1 12 13 26 o 1.132072       0.4665887     2.033370       0.7124714     0.4552527      0.6174045 
1 1 1 12 13 27 o 0.4949056E-01  0.4871316     -0.3667830E-01 0.7315543     0.1181357      0.6529444 
1 1 1 12 13 28 o 1.170321       0.5020007     0.7836895      0.7582678     1.472004       0.6698058 
1 1 1 12 13 29 o 0.2366242      0.5160001     0.7710258      0.7816105     -0.1762121     0.6869821 
1 1 1 12 14 0  o 23.24723       0.7760775     23.24723       0.5487697     ?              ?         
1 1 1 12 14 1  o 46.16077       0.7090163     46.39475       1.009462      45.93296       0.9960729 
1 1 1 12 14 2  o 50.89452       0.7378029     49.81564       1.039537      51.98964       1.047328  
1 1 1 12 14 3  o 89.22379       1.042689      88.77188       1.480920      89.66805       1.468331  
1 1 1 12 14 4  o 95.03860       1.123735      94.88197       1.639491      95.17739       1.543273  
1 1 1 12 14 5  f 132.1908       1.443046      132.0187       2.108230      132.3425       1.979407  
1 1 1 12 14 6  o 133.5177       1.462827      132.1389       2.132093      134.7440       2.010736  
1 1 1 12 14 7  o 87.83584       1.058948      88.15884       1.556313      87.55737       1.445029  
1 1 1 12 14 8  o 43.75929       0.7464077     43.93723       1.131576      43.62224       0.9930903 
1 1 1 12 14 9  o 19.54442       0.5528436     20.33711       0.8635381     18.99388       0.7196592 
1 1 1 12 14 10 f 23.87606       0.5740836     24.10467       0.8838404     23.70922       0.7550419 
1 1 1 12 14 11 o 8.176582       0.4857439     7.841326       0.7407047     8.429552       0.6434149 
1 1 1 12 14 12 o 1.414647       0.4536719     1.324130       0.6992487     1.480447       0.5961838 
1 1 1 12 14 13 f 3.988230       0.4153045     3.648860       0.7063134     4.167562       0.5134386 
1 1 1 12 14 14 o 2.210892       0.3988912     1.875291       0.6832505     2.384425       0.4913134 
1 1 1 12 14 15 o 10.00910       0.4263601     9.242887       0.7415726     10.38743       0.5210982 
1 1 1 12 14 16 o 15.44069       0.4705392     15.27943       0.7604523     15.54074       0.5989717 
1 1 1 12 14 17 o 11.54438       0.4492740     11.81113       0.7498839     11.39502       0.5611326 
1 1 1 12 14 18 o 9.581012       0.4236929     9.516219       0.6995652     9.618547       0.5324581 
1 1 1 12 14 19 o 1.175059       0.3837667     1.427941       0.6690305     1.051047       0.4685085 
1 1 1 12 14 20 o 0.8234522      0.4207879     0.5906159      0.6702460     0.9749274      0.5406043 
1 1 1 12 14 21 o 0.6575398      0.4263709     0.6750346      0.6693870     0.6455961      0.5530825 
1 1 1 12 14 22 o 2.389741       0.4398776     1.637422       0.6608031     2.988372       0.5894545 
1 1 1 12 14 23 o 4.988592       0.4549495     5.481666       0.7217963     4.663584       0.5860106 
1 1 1 12 14 24 o 7.095170       0.4694221     7.425237       0.7310734     6.863619       0.6123262 
1 1 1 12 14 25 o 4.095347       0.4802222     4.823885       0.7179552     3.505518       0.6460027 
1 1 1 12 14 26 o 1.070764       0.4837672     1.286688       0.7397082     0.9093887      0.6394833 
1 1 1 12 14 27 o 0.3268338      0.5017402     0.3336327      0.7623190     0.3216376      0.6664420 
1 1 1 12 14 28 o 0.1841326      0.5073656     -0.6740166     0.7789502     0.8164749      0.6686585 
1 1 1 12 15 0  o 46.70202       1.049933      46.70202       0.7424150     ?              ?         
1 1 1 12 15 1  o 21.17644       0.5571479     22.17247       0.7878071     20.17980       0.7880452 
1 1 1 12 15 2  o 2.892352       0.4807782     2.737802       0.6847113     3.042652       0.6752339 
1 1 1 12 15 3  o 4.438292       0.5008655     3.790748       0.7545511     4.948359       0.6696810 
1 1 1 12 15 4  f 5.861326       0.5069383     5.888469       0.7511339     5.838621       0.6869906 
1 1 1 12 15 5  o 22.00530       0.5958924     22.86189       0.8700746     21.24857       0.8177916 
1 1 1 12 15 6  f 24.28603       0.5892164     25.00971       0.8881073     23.71703       0.7874919 
1 1 1 12 15 7  o 4.949762       0.4852640     5.576408       0.7149004     4.414339       0.6608195 
1 1 1 12 15 8  o 7.590788       0.4939439     7.745575       0.7256237     7.457130       0.6742828 
1 1 1 12 15 9  o 14.51529       0.5402385     15.92763       0.8296493     13.47558       0.7118365 
1 1 1 12 15 10 o 6.130933       0.4935348     4.943969       0.7640978     6.980604       0.6464809 
1 1 1 12 15 11 o 1.166800       0.4633861     1.420833       0.7191277     0.9864277      0.6059619 
1 1 1 12 15 12 o 0.4653280      0.4501830     0.7198279E-01  0.6768277     0.7774170      0.6028795 
1 1 1 12 15 13 o 7.539063       0.4351903     8.054693       0.7459098     7.272965       0.5358436 
1 1 1 12 15 14 o 7.152033       0.4313476     6.605374       0.7102163     7.471533       0.5429602 
1 1 1 12 15 15 o 6.876368       0.4192819     6.671292       0.7069060     6.987667       0.5207745 
1 1 1 12 15 16 o 12.91752       0.4762587     13.69693       0.7819101     12.45781       0.6005057 
1 1 1 12 15 17 o 9.802212       0.4485252     10.07530       0.7480928     9.648956       0.5604246 
1 1 1 12 15 18 o 0.9358449E-01  0.4024252     0.2452575      0.6975836     0.1793132E-01  0.4926696 
1 1 1 12 15 19 o 0.9418138      0.4055313     1.545884       0.7058361     0.6441569      0.4954711 
1 1 1 12 15 20 o 6.120432       0.4301228     7.131443       0.7209687     5.561746       0.5359479 
1 1 1 12 15 21 f 4.078319       0.4497918     3.587921       0.7047095     4.415433       0.5842845 
1 1 1 12 15 22 o 4.721989       0.4612252     5.389134       0.7090302     4.232598       0.6072708 
1 1 1 12 15 23 o 2.119470       0.4631587     1.562180       0.7185892     2.515515       0.6057755 
1 1 1 12 15 24 o -0.6588061E-01 0.4619140     0.1664733      0.7352075     -0.2174128     0.5937276 
1 1 1 12 15 25 o 1.458916       0.4898788     1.704826       0.7781346     1.297461       0.6305107 
1 1 1 12 15 26 o 1.975614       0.5024024     1.586772       0.7672669     2.267466       0.6647233 
1 1 1 12 15 27 o 0.7990185      0.5161354     1.020452       0.7740938     0.6217813      0.6925466 
1 1 1 12 15 28 o 0.5877962      0.6672569     -0.7772526E-01 0.9810142     1.160758       0.9102426 
1 1 1 12 16 0  o 50.52369       1.070393      50.52369       0.7568823     ?              ?         
1 1 1 12 16 1  o 47.97180       0.7612872     48.28249       1.056210      47.63587       1.098267  
1 1 1 12 16 2  o 4.035197       0.4701838     3.260326       0.6473873     4.900199       0.6840031 
1 1 1 12 16 3  o 3.992138       0.5094047     3.899694       0.7415349     4.074748       0.7009880 
1 1 1 12 16 4  o 9.610550       0.5291327     10.28387       0.7943672     9.073521       0.7094291 
1 1 1 12 16 5  o 66.05299       0.9051841     68.57955       1.349321      63.98555       1.220585  
1 1 1 12 16 6  o 96.60775       1.157029      98.68027       1.702116      94.82748       1.577546  
1 1 1 12 16 7  f 115.2259       1.318353      117.4722       1.934814      113.2791       1.801211  
1 1 1 12 16 8  o 61.56823       0.8553492     62.97548       1.254976      60.34739       1.168899  
1 1 1 12 16 9  o 9.130376       0.5095966     9.126631       0.7882201     9.133065       0.6679723 
1 1 1 12 16 10 o 1.173413       0.4768791     1.418049       0.7329535     0.9938378      0.6279702 
1 1 1 12 16 11 o 0.9544227      0.4677594     0.9846976      0.7076027     0.9309249      0.6233935 
1 1 1 12 16 12 o 0.2386592      0.4463266     -0.2276550     0.7030035     0.5535446      0.5776894 
1 1 1 12 16 13 o 3.137745       0.4179178     2.969753       0.6942136     3.233231       0.5233820 
1 1 1 12 16 14 o 3.313159       0.4147181     3.499314       0.7069222     3.215471       0.5120997 
1 1 1 12 16 15 o 0.4858252      0.3935586     0.3384532      0.6917089     0.5563694      0.4785714 
1 1 1 12 16 16 o 4.756878       0.4288132     4.942194       0.7174777     4.653896       0.5348507 
1 1 1 12 16 17 o 12.45088       0.4851992     13.76620       0.7875677     11.64627       0.6159781 
1 1 1 12 16 18 o 13.63874       0.4956095     15.05809       0.8095430     12.78786       0.6268015 
1 1 1 12 16 19 o 5.306923       0.4826421     5.252831       0.8348241     5.334080       0.5915166 
1 1 1 12 16 20 o -0.5166622E-01 0.4176811     0.4017332      0.7390055     -0.2644856     0.5063057 
1 1 1 12 16 21 o 0.8106591      0.4292434     1.024937       0.7083464     0.6863123      0.5396029 
1 1 1 12 16 22 o 1.328224       0.4617934     2.116026       0.7287642     0.7996590      0.5969358 
1 1 1 12 16 23 o 2.390769       0.4834113     3.459952       0.7542960     1.645551       0.6297343 
1 1 1 12 16 24 o 4.263393       0.5056624     4.873128       0.7692625     3.799485       0.6709965 
1 1 1 12 16 25 o 2.525881       0.5137420     2.294732       0.7921027     2.693716       0.6749581 
1 1 1 12 16 26 o 0.8977263      0.5161291     0.9657689      0.8109105     0.8513908      0.6691743 
1 1 1 12 16 27 o 1.080035       0.5260400     0.6537385      0.8079603     1.393700       0.6930549 
1 1 1 12 17 0  o 3.543288       0.7615504     3.543288       0.5384974     ?              ?         
1 1 1 12 17 1  o 17.77007       0.5521099     18.09655       0.7769444     17.43703       0.7847162 
1 1 1 12 17 2  o 19.54679       0.5752061     20.46250       0.8392039     18.73540       0.7899565 
1 1 1 12 17 3  o 34.99498       0.6764079     35.96360       0.9916964     34.15236       0.9249574 
1 1 1 12 17 4  o 52.39734       0.7930362     53.31508       1.166138      51.60775       1.081665  
1 1 1 12 17 5  o 30.77084       0.6319652     30.87927       0.9285232     30.67726       0.8625829 
1 1 1 12 17 6  o 18.42672       0.5526270     18.05088       0.8151101     18.74643       0.7517899 
1 1 1 12 17 7  o 3.595388       0.4851973     2.859365       0.7192844     4.209929       0.6572494 
1 1 1 12 17 8  o 3.499620       0.4748352     3.015373       0.7074085     3.896708       0.6405894 
1 1 1 12 17 9  o 9.264910       0.4827179     9.727489       0.7229306     8.892727       0.6484578 
1 1 1 12 17 10 o 6.632130       0.4935350     6.703367       0.7474549     6.577064       0.6571589 
1 1 1 12 17 11 o 0.9372202E-01  0.4606776     0.1966432      0.6892779     0.1063352E-01  0.6193162 
1 1 1 12 17 12 o 1.603787       0.4569843     1.759725       0.7091613     1.493050       0.5976092 
1 1 1 12 17 13 o 0.7667544      0.4194328     1.522455       0.6988516     0.3412867      0.5243768 
1 1 1 12 17 14 o 0.9710670      0.4223040     1.889006       0.7197880     0.4892305      0.5214917 
1 1 1 12 17 15 o 5.910664       0.4276884     7.433486       0.7426851     5.155095       0.5231387 
1 1 1 12 17 16 o 14.02632       0.5028406     14.43816       0.8196180     13.77774       0.6367570 
1 1 1 12 17 17 o 7.928586       0.4704767     7.291597       0.7692873     8.309189       0.5946469 
1 1 1 12 17 18 o 2.712554       0.4515329     3.077282       0.7809125     2.529372       0.5534261 
1 1 1 12 17 19 o 1.165987       0.4333412     0.4000872      0.7375103     1.569832       0.5355372 
1 1 1 12 17 20 o 2.193802       0.4638331     2.219482       0.7660992     2.178941       0.5827891 
1 1 1 12 17 21 o 4.092504       0.4758901     3.419702       0.7761317     4.497842       0.6024219 
1 1 1 12 17 22 o 2.281326       0.5030143     2.951840       0.8826958     1.958866       0.6121325 
1 1 1 12 17 23 f 2.829395       0.5086911     2.957433       0.7792574     2.734319       0.6715044 
1 1 1 12 17 24 o 1.061181       0.5247691     1.434422       0.8221804     0.8046047      0.6816807 
1 1 1 12 17 25 f 1.277190       0.5315450     0.2989228      0.8156571     1.999319       0.7007877 
1 1 1 12 17 26 o 1.055665       0.5326499     0.9698935      0.8363501     1.114195       0.6908850 
1 1 1 12 18 0  o 13.40570       0.7552976     13.40570       0.5340760     ?              ?         
1 1 1 12 18 1  o 9.797547       0.5259079     10.13234       0.7685500     9.502740       0.7211985 
1 1 1 12 18 2  o 0.6287899      0.4978866     0.7056541      0.7221324     0.5591442      0.6873877 
1 1 1 12 18 3  o 0.7538561      0.4873550     1.026421       0.7078788     0.5082425      0.6719703 
1 1 1 12 18 4  o 3.396729       0.5021403     3.757411       0.7308393     3.074212       0.6910937 
1 1 1 12 18 5  o 0.8808087      0.4788002     0.4969902      0.6967956     1.224152       0.6590329 
1 1 1 12 18 6  o 3.337400       0.4804774     2.557525       0.6912721     4.066313       0.6683050 
1 1 1 12 18 8  f 6.821598       0.4893000     7.233825       0.7222800     6.471962       0.6651896 
1 1 1 12 18 9  f 1.334773       0.4610767     0.8737504      0.6612291     1.771084       0.6432638 
1 1 1 12 18 10 o 2.741794       0.4897621     3.368788       0.6841429     2.082700       0.7014372 
1 1 1 12 18 11 o 1.049936       0.4772407     0.3159533      0.7277167     1.603825       0.6321658 
1 1 1 12 18 12 o 1.606434       0.4761317     1.634453       0.7233572     1.585014       0.6324632 
1 1 1 12 18 13 o 1.217589       0.4396504     0.9694206      0.7336136     1.356671       0.5491999 
1 1 1 12 18 14 f 0.9127511      0.4341928     0.8096321      0.7430084     0.9662265      0.5350587 
1 1 1 12 18 15 o 1.400902       0.4289202     1.332065       0.7323701     1.436840       0.5291677 
1 1 1 12 18 16 o 1.448232       0.4889832     1.634446       0.8069165     1.340166       0.6147080 
1 1 1 12 18 17 o 3.261836       0.4701245     3.079701       0.7647863     3.372462       0.5960371 
1 1 1 12 18 18 o 2.058891       0.4732341     1.511256       0.7903998     2.364901       0.5908388 
1 1 1 12 18 19 o 1.664946       0.4681428     1.270056       0.7878272     1.880488       0.5820483 
1 1 1 12 18 20 o 1.039559       0.4712879     1.780306       0.7870935     0.6255490      0.5884324 
1 1 1 12 18 21 o 0.2798697      0.4694681     0.7650030      0.7989486     0.2402198E-01  0.5802018 
1 1 1 12 18 22 o 0.2347254      0.4737433     0.1562552      0.7894195     0.2788916      0.5922436 
1 1 1 12 18 23 o 0.2961300      0.5237036     0.3802608      0.8338044     0.2413174      0.6730187 
1 1 1 12 18 24 f 0.9897720      0.5304047     0.8524712      0.8340472     1.083004       0.6872861 
1 1 1 12 18 25 o 0.1559462      0.5336671     -0.2255088     0.8306849     0.4240328      0.6963896 
1 1 1 12 19 0  o 2.056999       0.7421550     2.056999       0.5247828     ?              ?         
1 1 1 12 19 1  o 2.454604       0.5041199     2.988231       0.7362859     1.983690       0.6916702 
1 1 1 12 19 2  o 4.576122       0.5076680     4.819673       0.7658691     4.385233       0.6780310 
1 1 1 12 19 3  o 3.028565       0.5058347     3.129358       0.7464995     2.942996       0.6878151 
1 1 1 12 19 4  o 0.1448478      0.4956167     0.5484685      0.7270066     -0.2056038     0.6774320 
1 1 1 12 19 5  o -0.6782181E-01 0.4850852     -0.1514963     0.7069529     0.6624811E-02  0.6668319 
1 1 1 12 19 6  o 3.401909       0.4855748     3.786796       0.7038767     3.052415       0.6707343 
1 1 1 12 19 7  o 3.047041       0.4914422     3.834755       0.7174308     2.350661       0.6745573 
1 1 1 12 19 8  o 4.201688       0.4803956     4.114817       0.6881627     4.284263       0.6709288 
1 1 1 12 19 9  o 1.962060       0.4643055     1.731576       0.6783318     2.165236       0.6368809 
1 1 1 12 19 10 f 4.343789       0.4897526     4.858478       0.7097688     3.876016       0.6766471 
1 1 1 12 19 11 o 5.555414       0.4981575     5.743271       0.7322941     5.393596       0.6796499 
1 1 1 12 19 12 f 7.191175       0.5107178     7.355814       0.7718539     7.062959       0.6811486 
1 1 1 12 19 13 o 6.885894       0.4793053     7.050604       0.7922337     6.790796       0.6019746 
1 1 1 12 19 14 f 1.942454       0.5321672     1.940157       0.9218246     1.943603       0.6517393 
1 1 1 12 19 15 o 0.9562029      0.4555891     1.003850       0.8083857     0.9340251      0.5515190 
1 1 1 12 19 16 o 1.102933       0.4510921     0.9777245E-01  0.7784590     1.611075       0.5534907 
1 1 1 12 19 17 o 2.591623       0.4967661     2.125064       0.7923597     2.893772       0.6376454 
1 1 1 12 19 18 o 2.738346       0.4993690     3.081772       0.8358529     2.547730       0.6227196 
1 1 1 12 19 19 o 2.274248       0.5028467     2.449471       0.8429288     2.177441       0.6265393 
1 1 1 12 19 20 o 0.3193697      0.4826171     0.3202087      0.8447605     0.3189632      0.5880290 
1 1 1 12 19 21 o 0.5571788      0.4864183     0.1132818      0.8419521     0.7795621      0.5959328 
1 1 1 12 19 22 o 1.719418       0.5166873     1.852013       0.8600872     1.644546       0.6463068 
1 1 1 12 19 23 f 1.320180       0.5102686     1.241811       0.8388237     1.366216       0.6429018 
1 1 1 12 19 24 o -0.1390477     0.5515085     0.7864664      0.8772199     -0.7439774     0.7092010 
1 1 1 12 20 0  o 2.766231       0.7551907     2.766231       0.5340005     ?              ?         
1 1 1 12 20 1  f 6.016783       0.5271623     5.809938       0.7425343     6.226988       0.7485422 
1 1 1 12 20 2  o 10.53371       0.5311383     11.22897       0.7953821     9.974154       0.7135494 
1 1 1 12 20 3  o 11.04900       0.5316883     10.72444       0.7705577     11.34395       0.7345738 
1 1 1 12 20 4  o 7.470443       0.5105554     7.955076       0.7402327     7.030703       0.7051154 
1 1 1 12 20 5  o 10.34792       0.5295461     9.675528       0.7699649     10.95143       0.7294583 
1 1 1 12 20 6  o 6.741469       0.5083381     6.727095       0.7501857     6.753674       0.6912256 
1 1 1 12 20 7  o 2.101869       0.4902726     1.865785       0.7105107     2.316447       0.6773758 
1 1 1 12 20 8  o 0.5218755      0.4778696     0.3494316      0.6961828     0.6755137      0.6571265 
1 1 1 12 20 9  o 0.2624255      0.4747975     0.3579627      0.6812938     0.1722091      0.6620499 
1 1 1 12 20 10 f 0.5939680      0.4817503     -0.5593202     0.6926062     1.674894       0.6705258 
1 1 1 12 20 11 f 1.244309       0.4952522     1.671148       0.7301306     0.8805604      0.6740149 
1 1 1 12 20 12 o 2.644021       0.4540669     2.371871       0.7296687     2.816014       0.5800657 
1 1 1 12 20 13 o 4.440503       0.4786547     3.500148       0.7834734     5.000508       0.6046082 
1 1 1 12 20 14 o 3.231120       0.4840782     3.651452       0.7963307     2.984761       0.6096515 
1 1 1 12 20 15 o 0.8099272      0.4706330     1.309160       0.8036739     0.5493743      0.5805992 
1 1 1 12 20 16 o 0.8426716      0.4679798     -0.6553647E-01 0.8129668     1.292768       0.5723122 
1 1 1 12 20 17 o 1.342980       0.5019653     0.8808728      0.8350082     1.604477       0.6281351 
1 1 1 12 20 18 o 2.588822       0.5421990     3.878232       0.8382418     1.661275       0.7109545 
1 1 1 12 20 19 o 2.161746       0.5063681     2.824778       0.8749592     1.827839       0.6209168 
1 1 1 12 20 20 o 1.732501       0.5262495     2.963473       0.8718353     1.026929       0.6600569 
1 1 1 12 20 21 o 0.6182683      0.5148389     0.9052820      0.8815727     0.4697154      0.6342309 
1 1 1 12 20 22 o 0.4727411E-01  0.5284344     0.7675307      0.8977755     -0.3345455     0.6536620 
1 1 1 12 21 0  o 3.064669       0.7519234     3.064669       0.5316901     ?              ?         
1 1 1 12 21 1  o 0.7709831      0.5241693     1.379731       0.7423626     0.1657495      0.7402166 
1 1 1 12 21 2  f 4.151124       0.5075525     3.475184       0.7081808     4.865026       0.7277963 
1 1 1 12 21 3  o 5.712790       0.5259176     6.052263       0.7696165     5.415392       0.7203456 
1 1 1 12 21 4  o 6.976266       0.5284634     7.168527       0.7761402     6.810095       0.7215613 
1 1 1 12 21 5  f 6.559646       0.5145730     6.277449       0.7614660     6.796823       0.6980896 
1 1 1 12 21 6  o 5.510816       0.5019748     5.424503       0.7254690     5.590096       0.6952915 
1 1 1 12 21 7  o 1.487833       0.5056061     1.066052       0.7463318     1.845605       0.6873717 
1 1 1 12 21 8  o 2.103027       0.4903740     2.487581       0.7185104     1.767729       0.6709200 
1 1 1 12 21 9  o 2.691839       0.5134798     2.555889       0.7499114     2.811840       0.7045496 
1 1 1 12 21 10 o 4.020946       0.5114642     4.040302       0.7306873     4.002351       0.7161704 
1 1 1 12 21 11 o 5.042204       0.5297146     4.531905       0.7678168     5.505682       0.7317436 
1 1 1 12 21 12 o 0.7518708      0.4614473     1.243733       0.7337575     0.4300741      0.5935012 
1 1 1 12 21 13 o 3.862381       0.4958834     3.989194       0.8152982     3.787924       0.6247224 
1 1 1 12 21 14 o 5.789677       0.5190330     6.290879       0.8610237     5.503595       0.6505107 
1 1 1 12 21 15 o 1.805779       0.5016327     0.9585750      0.8568561     2.247555       0.6187496 
1 1 1 12 21 16 o 2.022157       0.5056177     1.343810       0.8776087     2.359189       0.6186007 
1 1 1 12 21 17 o 4.105608       0.5368032     4.569420       0.8821365     3.832854       0.6764717 
1 1 1 12 21 18 f 1.497826       0.5293144     1.952819       0.8627459     1.223184       0.6702924 
1 1 1 12 21 19 o 0.3150540      0.5306320     -0.5492628     0.8691610     0.8286244      0.6699830 
1 1 1 12 21 20 o 0.3667170      0.5461019     0.8175128      0.8896697     0.9417749E-01  0.6917569 
1 1 1 12 21 21 o 0.1622562      0.5500803     -0.1226594     0.9062147     0.3284846      0.6921904 
1 1 1 12 22 0  o 13.57160       0.8410398     13.57160       0.5947049     ?              ?         
1 1 1 12 22 1  o 13.24850       0.5838276     12.64607       0.8416404     13.80725       0.8105509 
1 1 1 12 22 2  o 19.98018       0.6290290     20.35455       0.8779941     19.58538       0.9016399 
1 1 1 12 22 3  o 14.94076       0.6044507     15.30858       0.8961559     14.63375       0.8187267 
1 1 1 12 22 4  o 7.800953       0.5307596     7.377376       0.7975281     8.137698       0.7110996 
1 1 1 12 22 5  o 4.591019       0.5958506     5.182571       1.014209      4.279218       0.7363252 
1 1 1 12 22 6  o 7.047675       0.5185972     7.302993       0.7724045     6.838114       0.6997768 
1 1 1 12 22 7  o 6.857182       0.5380914     6.384784       0.7842696     7.277349       0.7396422 
1 1 1 12 22 8  o 5.634700       0.5115013     4.747956       0.7421141     6.437198       0.7059817 
1 1 1 12 22 9  o 0.8447151      0.5185093     0.7855788      0.7657464     0.8947879      0.7046263 
1 1 1 12 22 10 o 1.914621       0.5118404     1.349329       0.7460905     2.417201       0.7034897 
1 1 1 12 22 11 o 3.911708       0.5221587     3.965905       0.7409488     3.858237       0.7359643 
1 1 1 12 22 12 o 5.223810       0.5117764     5.137655       0.7986484     5.283836       0.6666315 
1 1 1 12 22 13 o 0.6931613      0.4930138     -0.8972872E-01 0.7845871     1.203991       0.6337658 
1 1 1 12 22 14 o 2.251563       0.5200824     2.752494       0.8628849     1.965761       0.6517740 
1 1 1 12 22 15 o 4.856433       0.5337676     5.051910       0.9167520     4.756180       0.6565256 
1 1 1 12 22 16 f 3.080729       0.5611271     1.551900       1.086373      3.637008       0.6553090 
1 1 1 12 22 17 f 0.4244708      0.5536374     -0.5171113E-01 0.9147314     0.6997468      0.6954906 
1 1 1 12 22 18 f 0.3221206      0.5571305     0.5633327      0.9359769     0.1897599      0.6933380 
1 1 1 12 22 19 o 4.184606       0.5738140     3.583949       0.9459050     4.534355       0.7217925 
1 1 1 12 22 20 o 2.134158       0.6470056     0.5798792      1.130737      2.890767       0.7889200 
1 1 1 12 23 0  o 0.4916750E-01  0.7859908     0.4916750E-01  0.5557795     ?              ?         
1 1 1 12 23 1  o -0.3989780E-01 0.5644106     -0.4866220     0.7946281     0.4149430      0.8018145 
1 1 1 12 23 2  o -0.2862099     0.5419560     -0.2498875     0.7389174     -0.3284977     0.7972899 
1 1 1 12 23 3  o 1.826082       0.5578457     1.430707       0.7909049     2.217499       0.7869358 
1 1 1 12 23 4  o 1.480597       0.5307971     0.6936283      0.7722824     2.185213       0.7307585 
1 1 1 12 23 5  o 2.916136       0.5334618     4.036702       0.7938072     1.993278       0.7203838 
1 1 1 12 23 6  f 0.8760198      0.5274163     0.7842885      0.7674637     0.9581112      0.7260192 
1 1 1 12 23 7  o 0.4502510      0.5329564     0.6834867      0.7839486     0.2498206      0.7267280 
1 1 1 12 23 8  o 0.1975633      0.5131721     0.5577958      0.7663658     -0.9525805E-01 0.6909492 
1 1 1 12 23 9  o 0.6230763      0.5337909     0.7084073      0.7769405     0.5467874      0.7346243 
1 1 1 12 23 10 o -0.9852613E-01 0.5404074     -0.8538415     0.7717458     0.6281461      0.7569712 
1 1 1 12 23 11 o 0.1482027      0.5397190     0.7461482      0.7918277     -0.3706602     0.7376090 
1 1 1 12 23 12 o -0.3433852     0.5087579     -0.8173360     0.7874181     -0.3746962E-02 0.6665720 
1 1 1 12 23 13 o -0.2088012     0.5230884     -0.2059774     0.8345109     -0.2106286     0.6713459 
1 1 1 12 23 14 o 0.4590502      0.5128814     -0.4284857     0.8212403     1.026553       0.6566913 
1 1 1 12 23 15 o 0.8100937      0.5315329     2.124092       0.9246329     0.1615469      0.6495949 
1 1 1 12 23 16 o 0.2207892      0.5313501     0.2344130      0.9045395     0.2136111      0.6565731 
1 1 1 12 23 17 o 0.4460605      0.5309138     0.2144704      0.9260336     0.5594559      0.6479841 
1 1 1 12 23 18 o 1.201343       0.5682036     0.7737550      0.9452201     1.443285       0.7110112 
1 1 1 12 24 0  o -0.9126644     0.8175393     -0.9126644     0.5780876     ?              ?         
1 1 1 12 24 1  o -0.2444178     0.5862315     -0.4422923     0.8210363     -0.3861831E-01 0.8373166 
1 1 1 12 24 2  o -0.2259969     0.5727778     -0.7563370     0.8181849     0.2837143      0.8021145 
1 1 1 12 24 3  o 2.542202       0.5899084     2.639657       0.8330497     2.444180       0.8354684 
1 1 1 12 24 4  f 2.544842       0.5753685     2.063888       0.8154624     3.021647       0.8119369 
1 1 1 12 24 5  o 1.507705       0.5653202     0.4875125      0.8116690     2.468852       0.7878308 
1 1 1 12 24 6  o 0.5975329      0.5555882     0.4411562      0.8131995     0.7344247      0.7608510 
1 1 1 12 24 7  o -0.2562645     0.5451785     0.1199699      0.7958537     -0.5889127     0.7483359 
1 1 1 12 24 8  o 1.319689       0.5543280     1.573398       0.8119729     1.098226       0.7586201 
1 1 1 12 24 9  o 0.9253676      0.5522844     1.698859       0.7909440     0.1894109      0.7715144 
1 1 1 12 24 10 f -0.3095681     0.5745255     0.8977228      0.8342864     -1.398508      0.7923391 
1 1 1 12 24 11 f -0.2309293E-01 0.5632765     -0.5756402     0.7859220     0.5605173      0.8077113 
1 1 1 12 24 12 f 1.811798       0.5380017     1.885611       0.8527765     1.762995       0.6934096 
1 1 1 12 24 13 o 0.7354874      0.5261762     0.6695430      0.8515177     0.7762206      0.6692351 
1 1 1 12 24 14 o 0.7195640      0.5428805     1.873534       0.8828827     0.1798944E-01  0.6884029 
1 1 1 12 24 15 o 1.099623       0.5468739     0.5808897      0.9424756     1.362930       0.6714751 
1 1 1 12 24 16 o 1.863256       0.5666623     2.095417       0.9650066     1.741072       0.7000721 
1 1 1 12 25 0  o 5.335069       0.8825564     5.335069       0.6240616     ?              ?         
1 1 1 12 25 1  o 6.093175       0.6006311     6.330284       0.8149616     5.811246       0.8886564 
1 1 1 12 25 2  o 1.894372       0.6110402     1.662949       0.8583314     2.132168       0.8700709 
1 1 1 12 25 3  o 0.1806211      0.5849540     0.3971599      0.8007318     -0.6718249E-01 0.8565900 
1 1 1 12 25 4  o 0.4001373      0.5951336     0.9881425      0.8475487     -0.1717679     0.8358650 
1 1 1 12 25 5  f 0.9961007      0.6017059     0.7065503      0.8459690     1.292559       0.8560010 
1 1 1 12 25 6  o 1.538839       0.6053793     1.483546       0.8596519     1.593237       0.8526623 
1 1 1 12 25 7  o 1.195256       0.5784107     1.495230       0.8321967     0.9149171      0.8044990 
1 1 1 12 25 8  o 0.4689963      0.5738091     1.501647       0.8514886     -0.3900942     0.7766433 
1 1 1 12 25 9  f 0.3820557      0.6088990     0.5418673      0.8845548     0.2381295      0.8394417 
1 1 1 12 25 10 o 0.8680270      0.6079705     -0.3912138     0.8645970     2.099705       0.8550823 
1 1 1 12 25 11 o 0.4621753      0.5584610     0.8409902      0.8903151     0.2164420      0.7170712 
1 1 1 12 25 12 o 1.670594       0.5648651     1.916380       0.9037226     1.513004       0.7236379 
1 1 1 12 25 13 o 2.298464       0.5813498     2.874325       0.9204909     1.916354       0.7498162 
1 1 1 12 26 0  o 0.7426755      0.8554230     0.7426755      0.6048754     ?              ?         
1 1 1 12 26 1  f 1.921450       0.6308693     2.696291       0.8868082     1.127532       0.8976586 
1 1 1 12 26 2  o 0.9396192      0.6286433     1.241548       0.8929682     0.6429512      0.8851550 
1 1 1 12 26 3  o -0.1477781     0.6212303     0.3140425E-01  0.8753836     -0.3295786     0.8817558 
1 1 1 12 26 4  o 1.905964       0.6160269     2.140691       0.8922144     1.692125       0.8515918 
1 1 1 12 26 5  o 1.633701       0.6228504     1.771769       0.8458876     1.470193       0.9205251 
1 1 1 12 26 6  o 2.091745       0.6394703     2.416623       0.8838186     1.734827       0.9263769 
1 1 1 12 26 7  o 0.9578120      0.6304990     1.151703       0.8526697     0.7239013      0.9365405 
1 1 1 12 26 8  o -1.090987      0.6003527     -1.124797      0.8950911     -1.063339      0.8094133 
1 1 1 12 26 9  o 1.886109       0.6034896     1.152145       0.9033937     2.477606       0.8109905 
1 1 1 12 26 10 o 1.908257       0.6075811     1.292799       0.8926218     2.439570       0.8293606 
1 1 1 12 27 0  o 0.6247826      0.9367549     0.6247826      0.6623857     ?              ?         
1 1 1 12 27 1  o 0.6404154      0.6288034     0.1235169      0.8841809     1.169369       0.8944322 
1 1 1 12 27 2  o 2.535663       0.6584105     2.106949       0.9234127     2.979020       0.9390505 
1 1 1 12 27 3  o 2.522085       0.6400903     2.623404       0.9121554     2.423788       0.8984489 
1 1 1 12 27 4  o 2.271186       0.6350093     2.460190       0.8716638     2.057440       0.9269625 
1 1 1 12 27 5  o 1.516961       0.6518767     2.085414       0.9022666     0.8962094      0.9428585 
1 1 1 13 0  0  o -0.1481974     0.5510880     -0.1481974     0.3896780     ?              ?         
1 1 1 13 0  1  o 85.47066       1.398281      85.47066       0.9887342     ?              ?         
1 1 1 13 0  2  o 54.40561       0.9853992     54.40561       0.6967825     ?              ?         
1 1 1 13 0  3  o 69.03885       1.180186      69.03885       0.8345177     ?              ?         
1 1 1 13 0  4  f 3.493477       0.4062468     3.493477       0.2872599     ?              ?         
1 1 1 13 0  5  o 6.613298       0.4195334     6.613298       0.2966549     ?              ?         
1 1 1 13 0  6  o 2.418175       0.3536590     2.418175       0.2500747     ?              ?         
1 1 1 13 0  7  f 15.08274       0.4663755     15.08274       0.3297773     ?              ?         
1 1 1 13 0  8  o 113.2815       1.661064      113.2815       1.174550      ?              ?         
1 1 1 13 0  9  o 0.5599182      0.3217263     0.5599182      0.2274949     ?              ?         
1 1 1 13 0  10 o 35.12612       0.6901799     35.12612       0.4880309     ?              ?         
1 1 1 13 0  11 o 94.72028       1.524568      94.72028       1.078032      ?              ?         
1 1 1 13 0  12 o 163.4632       2.404332      163.4632       1.700119      ?              ?         
1 1 1 13 0  13 o 59.92304       1.069246      59.92304       0.7560710     ?              ?         
1 1 1 13 0  14 f 8.935032       0.4053420     8.935032       0.2866201     ?              ?         
1 1 1 13 0  15 o -0.1413220     0.3188708     -0.1413220     0.2254757     ?              ?         
1 1 1 13 0  16 o 1.164891       0.2915426     1.164891       0.2061517     ?              ?         
1 1 1 13 0  17 o 7.823720       0.3560795     7.823720       0.2517862     ?              ?         
1 1 1 13 0  18 o 0.1078651      0.2912874     0.1078651      0.2059713     ?              ?         
1 1 1 13 0  19 f -0.8550675E-01 0.3032389     -0.8550675E-01 0.2144223     ?              ?         
1 1 1 13 0  20 o 5.276175       0.3594896     5.276175       0.2541975     ?              ?         
1 1 1 13 0  21 o 1.431013       0.3360262     1.431013       0.2376064     ?              ?         
1 1 1 13 0  22 o 3.250947       0.4194296     3.250947       0.2965815     ?              ?         
1 1 1 13 0  23 o 5.436930       0.4507170     5.436930       0.3187050     ?              ?         
1 1 1 13 0  24 f 3.064688       0.4476078     3.064688       0.3165065     ?              ?         
1 1 1 13 0  25 o 2.383844       0.4894662     2.383844       0.3461048     ?              ?         
1 1 1 13 0  26 o -0.6724775     0.4892769     -0.6724775     0.3459710     ?              ?         
1 1 1 13 0  27 o 1.935364       0.5153890     1.935364       0.3644351     ?              ?         
1 1 1 13 0  28 o 1.018155       0.5410186     1.018155       0.3825579     ?              ?         
1 1 1 13 0  29 o -0.1388561     0.5655872     -0.1388561     0.3999306     ?              ?         
1 1 1 13 0  30 o 0.3780707      0.5918561     0.3780707      0.4185054     ?              ?         
1 1 1 13 0  31 o 0.1136603      0.6176480     0.1136603      0.4367431     ?              ?         
1 1 1 13 0  32 o 1.381177       0.6635893     1.381177       0.4692285     ?              ?         
1 1 1 13 1  0  f 111.8100       1.759719      111.8100       1.244309      ?              ?         
1 1 1 13 1  1  o 65.26194       0.8025531     64.76705       1.132438      65.76131       1.137542  
1 1 1 13 1  2  o 14.29362       0.3609875     15.03213       0.5116441     13.56160       0.5093902 
1 1 1 13 1  3  o 70.45687       0.8473578     69.97408       1.195085      70.94496       1.201632  
1 1 1 13 1  4  f 258.0580       2.465145      258.1180       3.410044      257.9925       3.567788  
1 1 1 13 1  5  o 227.9098       2.199776      227.2764       3.036245      228.6097       3.191462  
1 1 1 13 1  6  o 60.10242       0.7339977     61.60002       1.015287      58.46268       1.062372  
1 1 1 13 1  7  o 16.83935       0.3466147     17.35205       0.5047309     16.38175       0.4768323 
1 1 1 13 1  8  o 2.414293       0.2490846     2.683566       0.3654797     2.180739       0.3403762 
1 1 1 13 1  9  o 23.80217       0.3933164     23.58009       0.5641962     24.01214       0.5485984 
1 1 1 13 1  10 f 65.81476       0.7566956     65.08304       1.074008      66.53601       1.066292  
1 1 1 13 1  11 o 55.74029       0.6887525     56.08029       1.016945      55.45216       0.9361499 
1 1 1 13 1  12 o 7.311405       0.2768991     6.947461       0.3904868     7.679507       0.3927117 
1 1 1 13 1  13 o 25.87108       0.4389739     25.66318       0.6203730     26.07955       0.6212336 
1 1 1 13 1  14 o 21.18084       0.3968891     20.90181       0.5565806     21.46951       0.5661126 
1 1 1 13 1  15 o 11.34354       0.2970597     11.08029       0.4123750     11.62751       0.4282884 
1 1 1 13 1  16 o 18.65740       0.3663841     18.25913       0.5101708     19.08159       0.5265059 
1 1 1 13 1  17 o 3.233528       0.2150689     4.552821       0.2781890     1.273537       0.3390755 
1 1 1 13 1  18 f 0.1548837      0.1901588     0.2725094E-01  0.2327823     0.4108987      0.3296869 
1 1 1 13 1  19 o 3.867820       0.2178836     3.758865       0.2653930     4.093098       0.3816154 
1 1 1 13 1  20 o 1.386599       0.2148076     1.299564       0.2616087     1.566715       0.3763403 
1 1 1 13 1  21 o 2.723197       0.2375994     2.734294       0.2944946     2.702504       0.4021524 
1 1 1 13 1  22 o 0.6259190      0.2716830     0.8303570      0.3656311     0.3738932      0.4059615 
1 1 1 13 1  23 f 2.984005       0.3007509     3.057540       0.4034178     2.892004       0.4512409 
1 1 1 13 1  24 o 3.963157       0.3233700     3.893626       0.4398853     4.044914       0.4769940 
1 1 1 13 1  25 o 6.857060       0.3556761     6.457379       0.4832672     7.329417       0.5253704 
1 1 1 13 1  26 o 2.761779       0.3504795     2.936370       0.4819327     2.565788       0.5106158 
1 1 1 13 1  27 o 0.9586675      0.3610021     1.196632       0.4993268     0.6980719      0.5225314 
1 1 1 13 1  28 o 0.7906651      0.3758066     1.135225       0.5160781     0.4016960      0.5483285 
1 1 1 13 1  29 o 1.239792       0.4026775     1.361030       0.5695959     1.118660       0.5693481 
1 1 1 13 1  30 o 0.2923718      0.4142642     1.092741       0.5802819     -0.5395182     0.5915982 
1 1 1 13 1  31 o 0.6812111      0.4412383     0.5948088      0.6239932     0.7676200      0.6240173 
1 1 1 13 1  32 o -0.4035795     0.4491580     -0.5413823     0.6236846     -0.2551027     0.6473892 
1 1 1 13 2  0  o 0.3386645      0.4135451     0.3386645      0.2924205     ?              ?         
1 1 1 13 2  1  o 22.06566       0.4202394     22.75358       0.5980935     21.39487       0.5905940 
1 1 1 13 2  2  o 68.95298       0.8428941     68.98526       1.191650      68.92065       1.192415  
1 1 1 13 2  3  o 148.5940       1.543057      150.0993       2.142519      146.9717       2.224195  
1 1 1 13 2  4  o 174.6472       1.780765      175.1275       2.459308      174.1179       2.581929  
1 1 1 13 2  5  o 6.270779       0.2996016     6.130548       0.4209762     6.414701       0.4264786 
1 1 1 13 2  6  o 9.236533       0.3088264     9.392755       0.4251547     9.062032       0.4493411 
1 1 1 13 2  7  o 80.48306       0.9218208     80.14091       1.266632      80.86835       1.344119  
1 1 1 13 2  8  o 42.98788       0.5623961     43.27654       0.8053937     42.71318       0.7856694 
1 1 1 13 2  9  o 49.09376       0.6172064     49.90024       0.8853068     48.33109       0.8609270 
1 1 1 13 2  10 o 58.37161       0.6911477     58.84197       0.9866740     57.91847       0.9684420 
1 1 1 13 2  11 o 37.02327       0.5005277     36.53437       0.7754523     37.37243       0.6553215 
1 1 1 13 2  12 o 2.448050       0.2389623     2.201037       0.3203913     2.757729       0.3587381 
1 1 1 13 2  13 o 35.19349       0.5293690     34.03850       0.7331407     36.45160       0.7651675 
1 1 1 13 2  14 o 34.37511       0.6469457     32.93528       0.9809714     35.48336       0.8606332 
1 1 1 13 2  15 o 34.63660       0.6517333     34.63356       1.011119      34.63875       0.8524423 
1 1 1 13 2  16 o 2.198525       0.3830099     2.136653       0.6810434     2.227147       0.4632022 
1 1 1 13 2  17 o 1.681487       0.3935406     1.779994       0.6811994     1.632139       0.4821400 
1 1 1 13 2  18 f 13.56149       0.4739733     13.99426       0.7727599     13.30050       0.6001105 
1 1 1 13 2  19 o 4.917923       0.4121022     4.740208       0.6882240     5.017260       0.5145454 
1 1 1 13 2  20 f 7.725470       0.4280923     7.519521       0.6920283     7.853135       0.5448532 
1 1 1 13 2  21 o 1.765833       0.4561382     1.516532       0.6758808     1.974353       0.6181338 
1 1 1 13 2  22 o 0.9177321      0.1906776     0.8786146      0.2142904     1.066464       0.4178484 
1 1 1 13 2  23 o 3.758781       0.2625092     3.599675       0.3450599     3.977385       0.4044649 
1 1 1 13 2  24 o 3.735594       0.2902314     3.545037       0.3801176     4.001986       0.4494336 
1 1 1 13 2  25 o 2.284096       0.3071695     2.150374       0.3975038     2.482304       0.4839484 
1 1 1 13 2  26 o 2.175266       0.3264149     1.456540       0.4275112     3.179972       0.5054585 
1 1 1 13 2  27 o 2.757700       0.3555807     2.346715       0.4669691     3.324853       0.5485614 
1 1 1 13 2  28 o 0.7061484      0.3690279     0.5850304      0.4886436     0.8669232      0.5629851 
1 1 1 13 2  29 o 0.7578903      0.3851001     0.8773325      0.5134885     0.6043515      0.5821849 
1 1 1 13 2  30 o 0.5311309      0.4026742     0.5477483      0.5421613     0.5106862      0.6013637 
1 1 1 13 2  31 o 0.3268684      0.4164915     0.2771855      0.5667030     0.3852232      0.6141725 
1 1 1 13 2  32 o 0.4944707      0.4407455     0.4460036      0.5988783     0.5517405      0.6509947 
1 1 1 13 3  0  o 43.02683       0.8763431     43.02683       0.6196681     ?              ?         
1 1 1 13 3  1  o 62.55272       0.7705005     62.15175       1.057153      63.00708       1.125346  
1 1 1 13 3  2  o 83.13463       0.9541063     80.89742       1.299775      85.74864       1.404977  
1 1 1 13 3  3  o 53.14048       0.6827329     53.15339       0.9368384     53.12585       0.9970304 
1 1 1 13 3  4  o 12.86391       0.3532211     11.97425       0.4794405     13.92005       0.5223770 
1 1 1 13 3  5  o 25.23454       0.4390399     25.33387       0.5990949     25.11930       0.6452652 
1 1 1 13 3  6  o 79.59902       0.9237079     78.83480       1.265957      80.46912       1.350808  
1 1 1 13 3  7  o 96.16001       1.076594      95.36266       1.478206      97.06074       1.571106  
1 1 1 13 3  8  o 92.95127       1.036295      92.08309       1.420417      93.93925       1.515262  
1 1 1 13 3  9  o 148.8011       1.488127      148.5502       2.112276      149.0484       2.096866  
1 1 1 13 3  10 o 266.5267       2.427695      267.5785       3.661603      265.7017       3.242950  
1 1 1 13 3  11 o 166.3252       1.614675      165.3176       2.456091      167.0922       2.142822  
1 1 1 13 3  12 o 33.06567       0.5122874     32.42373       0.7100579     33.76257       0.7398261 
1 1 1 13 3  13 o 12.98186       0.4612641     13.15393       0.7569301     12.88022       0.5817634 
1 1 1 13 3  14 o 5.760217       0.4176501     5.186305       0.7083473     6.066055       0.5170943 
1 1 1 13 3  15 f 9.265551       0.4497292     8.102070       0.7348170     9.962387       0.5686761 
1 1 1 13 3  16 o 5.170275       0.4269654     4.978745       0.7410042     5.265468       0.5224033 
1 1 1 13 3  17 o 1.545833       0.4209621     1.145476       0.7163687     1.757000       0.5202668 
1 1 1 13 3  18 o 5.971592       0.4506523     5.991745       0.7479992     5.960108       0.5646308 
1 1 1 13 3  19 o 0.9125228      0.4175954     1.258229       0.6927105     0.7151617      0.5233942 
1 1 1 13 3  20 o 3.261203       0.5037039     3.011490       0.7323868     3.485337       0.6938631 
1 1 1 13 3  21 o 0.5600384      0.4759773     0.9793652      0.6908259     0.1810772      0.6567343 
1 1 1 13 3  22 o 6.668806       0.5148910     5.707973       0.7503943     7.523662       0.7078025 
1 1 1 13 3  23 o 1.807935       0.4975425     0.9383031      0.7397614     2.526243       0.6723256 
1 1 1 13 3  24 o 1.825130       0.2132487     1.898840       0.2427127     1.575629       0.4465485 
1 1 1 13 3  25 o 1.933437       0.2724403     1.632500       0.3436605     2.442488       0.4469647 
1 1 1 13 3  26 o 2.002589       0.3056511     2.024540       0.3934886     1.969194       0.4853290 
1 1 1 13 3  27 f -0.3423283     0.3185785     -0.3684908     0.4122414     -0.3035371     0.5019714 
1 1 1 13 3  28 f 0.5545468      0.3514728     0.2288183      0.4628920     0.9980131      0.5401098 
1 1 1 13 3  29 o 0.5372154      0.3700210     0.5774555      0.4895290     0.4835810      0.5651592 
1 1 1 13 3  30 f -0.4241338E-01 0.3954728     -0.4911251     0.5331708     0.5063991      0.5896505 
1 1 1 13 3  31 o 0.7283315E-02  0.4082660     0.4780541      0.5397219     -0.6223869     0.6241972 
1 1 1 13 3  32 o 0.4756093      0.4297456     -0.7282572E-01 0.5732503     1.179302       0.6493414 
1 1 1 13 4  0  o 139.7349       2.042379      139.7349       1.444180      ?              ?         
1 1 1 13 4  1  f 28.40193       0.4693384     28.03320       0.6661230     28.76545       0.6613917 
1 1 1 13 4  2  o 42.64099       0.5993139     42.14675       0.8172558     43.21599       0.8815015 
1 1 1 13 4  3  o 13.50282       0.3713894     13.71967       0.5141490     13.26621       0.5370470 
1 1 1 13 4  4  o 14.25782       0.3734212     13.49839       0.5046877     15.17653       0.5550992 
1 1 1 13 4  5  o 44.08801       0.6095848     43.02135       0.8315073     45.32738       0.8963005 
1 1 1 13 4  6  o 92.61265       1.042720      91.06497       1.428196      94.37933       1.525905  
1 1 1 13 4  7  o 79.32091       0.9240164     78.45633       1.268847      80.29713       1.348280  
1 1 1 13 4  8  o 153.4279       1.547436      154.8004       2.205904      152.0981       2.171317  
1 1 1 13 4  9  o 110.3504       1.169087      110.9375       1.666173      109.7810       1.640795  
1 1 1 13 4  10 o 37.42891       0.5467684     39.01014       0.8224536     36.17659       0.7319328 
1 1 1 13 4  11 o 100.7136       1.143443      100.1954       1.640985      101.2026       1.594175  
1 1 1 13 4  12 o 55.77771       0.8737759     56.87089       1.332566      54.95318       1.157298  
1 1 1 13 4  13 f 9.287097       0.4604540     8.923552       0.7445207     9.512279       0.5859544 
1 1 1 13 4  14 o 21.75695       0.5698342     21.51928       0.8927696     21.92035       0.7402302 
1 1 1 13 4  15 o 20.08560       0.5647084     19.84250       0.8976781     20.24482       0.7264596 
1 1 1 13 4  16 o 49.61019       0.8347617     50.15653       1.275861      49.20127       1.103805  
1 1 1 13 4  17 o 9.114664       0.4965403     10.22022       0.8175034     8.468379       0.6250455 
1 1 1 13 4  18 o 8.371718       0.4932218     8.680210       0.7934971     8.177485       0.6296309 
1 1 1 13 4  19 o 1.045120       0.4473650     1.027720       0.7165209     1.056236       0.5727086 
1 1 1 13 4  20 o 0.4593413      0.4979560     0.5218439      0.7034861     0.3965786      0.7049485 
1 1 1 13 4  21 o 1.229454       0.5237284     1.032901       0.7679819     1.400332       0.7160679 
1 1 1 13 4  22 o -0.1099006     0.5037403     0.3620551E-01  0.7459087     -0.2324119     0.6830298 
1 1 1 13 4  23 f 1.313143       0.5219948     0.9815482      0.7827800     1.578678       0.7004814 
1 1 1 13 4  24 o 1.630772       0.5376217     1.773449       0.7998781     1.513204       0.7260904 
1 1 1 13 4  25 o 0.8216333      0.2026080     0.7930050      0.2257407     0.9402335      0.4594676 
1 1 1 13 4  26 o 0.2321187      0.2365436     0.2280899      0.2795039     0.2422868      0.4440383 
1 1 1 13 4  27 o 0.1354489      0.2681316     0.1585860      0.3228436     0.8400286E-01  0.4814091 
1 1 1 13 4  28 o 0.6001506      0.2989160     0.6823124      0.3621602     0.4245621      0.5294363 
1 1 1 13 4  29 o -0.3475126     0.3616100     -0.2899196     0.4626651     -0.4379232     0.5796847 
1 1 1 13 4  30 o 0.2521014      0.3845024     0.4374912      0.4980991     -0.2127025E-01 0.6048526 
1 1 1 13 4  31 o 0.4611389      0.4076812     0.4196320      0.5290363     0.5218257      0.6396946 
1 1 1 13 4  32 f 0.4737410      0.4263683     -0.1422700     0.5516009     1.388098       0.6720299 
1 1 1 13 5  0  o 18.28367       0.5743520     18.28367       0.4061282     ?              ?         
1 1 1 13 5  1  o 146.4291       1.502188      147.4590       2.116330      145.3833       2.132593  
1 1 1 13 5  2  o 162.5047       1.640451      164.6125       2.324005      160.4115       2.315912  
1 1 1 13 5  3  o 268.9403       2.532724      269.7860       3.575497      268.0885       3.588161  
1 1 1 13 5  4  o 67.84711       0.8302281     65.99627       1.128613      70.02979       1.225616  
1 1 1 13 5  5  o 59.58113       0.7584131     57.66792       1.028636      61.85999       1.122635  
1 1 1 13 5  6  o 49.29809       0.6420616     49.53799       0.9111262     49.06144       0.9049300 
1 1 1 13 5  7  o 4.084263       0.3055471     3.897695       0.4469022     4.248023       0.4186936 
1 1 1 13 5  8  o 17.41938       0.3836610     16.86975       0.5494440     17.94237       0.5359643 
1 1 1 13 5  9  o 141.7796       1.457667      139.7201       2.066299      143.8199       2.056639  
1 1 1 13 5  10 o 106.9063       1.180343      106.9292       1.744962      106.8870       1.602620  
1 1 1 13 5  11 o 65.99261       0.8069261     65.34919       1.186842      66.54572       1.100387  
1 1 1 13 5  12 o 2.403622       0.4383654     2.270634       0.7202052     2.481885       0.5524972 
1 1 1 13 5  13 f 23.22460       0.5871817     23.54328       0.9375453     23.01892       0.7531983 
1 1 1 13 5  14 o 14.49466       0.5218183     15.91762       0.8496040     13.63273       0.6612342 
1 1 1 13 5  15 o 32.79276       0.6858717     33.54753       1.079009      32.28103       0.8884606 
1 1 1 13 5  16 o 6.215620       0.5013275     7.321457       0.8177860     5.549832       0.6345440 
1 1 1 13 5  17 o 0.8881077      0.4687963     0.8921587      0.7848696     0.8858608      0.5845166 
1 1 1 13 5  18 o 0.1502002      0.4735753     -0.4719665     0.7878779     0.5021378      0.5925683 
1 1 1 13 5  19 f 2.444755       0.4676870     1.528921       0.7712201     2.977455       0.5881812 
1 1 1 13 5  20 o 3.125792       0.5380962     2.708665       0.7515554     3.564525       0.7707744 
1 1 1 13 5  21 o 1.624341       0.5335894     1.636372       0.7641056     1.612889       0.7454587 
1 1 1 13 5  22 o 1.390978       0.5464575     1.109223       0.8024988     1.634577       0.7461857 
1 1 1 13 5  23 o 3.036102       0.5606951     1.949063       0.8138933     4.017998       0.7735307 
1 1 1 13 5  24 o 2.531800       0.5770819     2.489561       0.8522701     2.567562       0.7842060 
1 1 1 13 5  25 o 0.8194061      0.5837249     0.6631883      0.8760816     0.9441268      0.7827961 
1 1 1 13 5  26 o 0.5969660      0.2298042     0.5925932      0.2578276     0.6138651      0.5068521 
1 1 1 13 5  27 o 1.470668       0.2621875     1.634551       0.3173200     1.118061       0.4654531 
1 1 1 13 5  28 o 0.5639791      0.2886615     0.4879489      0.3462577     0.7372201      0.5226753 
1 1 1 13 5  29 f 0.5757030      0.3228343     0.4272110      0.3902003     0.8978921      0.5747669 
1 1 1 13 5  30 o 0.3939349      0.3465922     0.3876461      0.4257442     0.4062926      0.5968064 
1 1 1 13 5  31 o 0.3803335      0.3669808     0.4750403      0.4455598     0.1805697      0.6471031 
1 1 1 13 5  32 o -0.2597231     0.3821662     0.3278461E-01  0.4696538     -0.8329774     0.6574805 
1 1 1 13 6  0  o 175.4753       2.491450      175.4753       1.761721      ?              ?         
1 1 1 13 6  1  o 108.6643       1.174873      108.3874       1.656236      108.9448       1.666858  
1 1 1 13 6  2  o 106.3677       1.154618      105.8765       1.630920      106.8613       1.634839  
1 1 1 13 6  3  f 173.2318       1.761770      173.5166       2.490310      172.9465       2.492729  
1 1 1 13 6  4  o 60.76968       0.7286208     62.18718       1.063543      59.51595       1.000220  
1 1 1 13 6  5  o 4.777483       0.3204652     5.118791       0.4680466     4.476274       0.4396936 
1 1 1 13 6  6  o 5.057601       0.3332297     4.279553       0.4730907     5.823708       0.4694464 
1 1 1 13 6  7  o 16.53309       0.3976402     16.02045       0.5652975     17.03518       0.5594445 
1 1 1 13 6  8  o 16.31058       0.3889267     15.97021       0.5537259     16.64201       0.5463980 
1 1 1 13 6  9  o 7.622253       0.3411502     8.155539       0.5293137     7.243317       0.4461857 
1 1 1 13 6  10 o 29.47980       0.4984093     28.94421       0.7478340     29.90782       0.6685289 
1 1 1 13 6  11 o 20.58896       0.4129109     19.87220       0.6174677     21.16875       0.5553480 
1 1 1 13 6  12 o 43.50654       0.6318574     41.32795       0.8927792     45.69297       0.8943856 
1 1 1 13 6  13 f 49.88485       0.8461314     48.03640       1.269254      51.36338       1.135164  
1 1 1 13 6  14 o 16.45869       0.5681028     14.89852       0.8866605     17.54522       0.7399359 
1 1 1 13 6  15 o 12.22246       0.5337563     13.06141       0.8764151     11.72782       0.6729548 
1 1 1 13 6  16 o 14.66245       0.5737419     14.06131       0.9090424     15.06046       0.7396812 
1 1 1 13 6  17 o 0.6607119      0.4957544     0.7747167E-01  0.8306305     0.9834326      0.6178706 
1 1 1 13 6  18 o 4.172623       0.5154374     4.138793       0.8501263     4.192287       0.6481608 
1 1 1 13 6  19 o 5.754371       0.5659052     5.700871       0.8419136     5.798465       0.7643226 
1 1 1 13 6  20 o 2.120278       0.5504071     1.816096       0.7826406     2.417945       0.7742141 
1 1 1 13 6  21 o 3.787171       0.5620568     3.434474       0.8055620     4.121742       0.7845896 
1 1 1 13 6  22 o 2.794114       0.5660574     1.804996       0.8252995     3.672782       0.7778576 
1 1 1 13 6  23 o 1.464899       0.5736241     1.084239       0.8290812     1.814448       0.7944788 
1 1 1 13 6  24 o 2.110486       0.5962626     2.060145       0.8776883     2.153634       0.8125583 
1 1 1 13 6  25 o 2.294372       0.6034858     1.624484       0.8970969     2.848109       0.8156245 
1 1 1 13 6  26 o 3.215573       0.2450977     3.027203       0.2828318     3.783613       0.4911478 
1 1 1 13 6  27 f 2.529199       0.2653358     2.442693       0.3264281     2.697662       0.4555288 
1 1 1 13 6  28 o 0.7832581      0.2882412     0.7164503      0.3487085     0.9273746      0.5121603 
1 1 1 13 6  29 o -0.6704085E-01 0.3145499     -0.3730613     0.3798130     0.6011118      0.5612191 
1 1 1 13 6  30 o 0.2973917      0.3381267     0.1930989      0.4103855     0.5178488      0.5966598 
1 1 1 13 6  31 o 0.9341426      0.3691062     1.095304       0.4498916     0.6022870      0.6455818 
1 1 1 13 7  0  o 20.40049       0.6434479     20.40049       0.4549864     ?              ?         
1 1 1 13 7  1  o 185.0663       1.851770      188.0058       2.633932      182.1933       2.603923  
1 1 1 13 7  2  o 241.5550       2.338012      243.9592       3.327057      239.2095       3.286217  
1 1 1 13 7  3  o 293.3751       2.709448      300.5598       3.957344      287.0352       3.717381  
1 1 1 13 7  4  o 94.23050       1.030251      95.63135       1.503406      92.99021       1.414631  
1 1 1 13 7  5  f 1.770089       0.3283007     2.288675       0.4940306     1.359962       0.4393411 
1 1 1 13 7  6  o 13.02422       0.3809375     13.19034       0.5518520     12.87302       0.5264961 
1 1 1 13 7  7  o 6.296100       0.3450134     7.309308       0.5147672     5.469751       0.4648825 
1 1 1 13 7  8  o 1.312224       0.3235964     1.354174       0.4772964     1.276539       0.4402179 
1 1 1 13 7  9  o 87.20367       1.026125      87.69875       1.510109      86.77900       1.398615  
1 1 1 13 7  10 o 51.19384       0.7016407     50.70345       1.037079      51.60778       0.9528083 
1 1 1 13 7  11 o 52.82848       0.7122191     53.19463       1.059060      52.52616       0.9623336 
1 1 1 13 7  12 o 69.24403       0.8575466     70.17290       1.268145      68.46141       1.164040  
1 1 1 13 7  13 o 46.54938       0.6419485     46.17216       0.9635954     46.85040       0.8607839 
1 1 1 13 7  14 f 31.07184       0.6903291     32.00323       1.082238      30.43291       0.8963653 
1 1 1 13 7  15 o 14.29169       0.5750211     14.72436       0.9274592     14.02151       0.7328799 
1 1 1 13 7  16 o 22.82147       0.6454073     22.84365       1.011469      22.80624       0.8382322 
1 1 1 13 7  17 f 25.98536       0.6727494     25.28526       1.045126      26.48069       0.8790932 
1 1 1 13 7  18 o 29.57850       0.6957273     28.73384       1.066878      30.20346       0.9177009 
1 1 1 13 7  19 o 10.58347       0.6042757     11.88475       0.8895680     9.468544       0.8234110 
1 1 1 13 7  20 o 1.386124       0.5728896     1.339957       0.7951309     1.435962       0.8261347 
1 1 1 13 7  21 o 3.622146       0.5706963     3.796599       0.7996544     3.441054       0.8147296 
1 1 1 13 7  22 o 5.247092       0.5862637     5.407577       0.8333422     5.089832       0.8249260 
1 1 1 13 7  23 o 3.220665       0.5818750     2.314671       0.8537772     4.006485       0.7951394 
1 1 1 13 7  24 f 1.077061       0.5989138     0.7290824      0.8737885     1.385402       0.8225186 
1 1 1 13 7  25 o 0.8567503      0.6123258     0.7557546      0.9156260     0.9384623      0.8235872 
1 1 1 13 7  26 o 0.7319673      0.2832458     0.6250806      0.3502483     0.9339974      0.4815291 
1 1 1 13 7  27 o 2.890932       0.2739494     2.948191       0.3410574     2.786815       0.4599073 
1 1 1 13 7  28 o 1.439370       0.2997771     1.086981       0.3676657     2.138261       0.5177810 
1 1 1 13 7  29 o 0.8707414      0.3232342     1.405213       0.3978003     -0.1678904     0.5545409 
1 1 1 13 7  30 f 0.7441290      0.3427341     0.7857583      0.4159996     0.6561612      0.6047218 
1 1 1 13 7  31 o 0.6996713E-03  0.3644156     0.1837644      0.4426240     -0.3844682     0.6420335 
1 1 1 13 8  0  o 0.8994802      0.5013361     0.8994802      0.3544981     ?              ?         
1 1 1 13 8  1  o 28.57166       0.5010106     30.90081       0.7434150     26.63353       0.6781465 
1 1 1 13 8  2  o 30.65287       0.5208685     32.21473       0.7634953     29.29308       0.7123953 
1 1 1 13 8  3  f 12.78006       0.3984276     13.21952       0.5938199     12.42023       0.5373292 
1 1 1 13 8  4  o 117.2458       1.243063      119.6650       1.817864      115.1212       1.703606  
1 1 1 13 8  5  f 109.4282       1.171874      111.7744       1.711376      107.3568       1.608008  
1 1 1 13 8  6  o 108.2761       1.165734      110.5378       1.706819      106.2987       1.595952  
1 1 1 13 8  7  o 42.70267       0.6087111     44.27560       0.9062484     41.40971       0.8216506 
1 1 1 13 8  8  o 66.16890       0.8276240     67.15941       1.260449      65.41821       1.097310  
1 1 1 13 8  9  o 49.06643       0.6834853     49.09629       1.045684      49.04415       0.9031032 
1 1 1 13 8  10 o 58.32638       0.7840421     56.89249       1.152359      59.56227       1.069839  
1 1 1 13 8  11 o 39.96759       0.6234802     38.27736       0.9186099     41.41125       0.8489702 
1 1 1 13 8  12 o 63.69274       0.8655516     62.74043       1.218270      64.66342       1.229963  
1 1 1 13 8  13 o 38.85707       0.5714796     36.33055       0.8871437     40.64915       0.7471547 
1 1 1 13 8  14 o 1.580304       0.2446981     1.289871       0.4073419     1.744286       0.3060791 
1 1 1 13 8  15 o 11.51661       0.3341217     11.14530       0.4520759     11.96361       0.4960134 
1 1 1 13 8  16 o 16.81342       0.6202779     16.43397       0.9715739     17.07449       0.8058871 
1 1 1 13 8  17 o 17.25694       0.6116375     16.89821       0.9785166     17.48697       0.7835762 
1 1 1 13 8  18 o 4.098732       0.5256400     4.591054       0.8565651     3.801344       0.6657293 
1 1 1 13 8  19 o 2.187215       0.5702541     1.124517       0.8112712     3.225078       0.8017355 
1 1 1 13 8  20 o 1.139746       0.5668027     1.504676       0.8302553     0.8212115      0.7756846 
1 1 1 13 8  21 o 0.5433518      0.6408105     0.3678832      1.009758      0.6616726      0.8291783 
1 1 1 13 8  22 o 0.2649828      0.5787791     0.4721072      0.8242205     0.6349359E-01  0.8129308 
1 1 1 13 8  23 o 2.557886       0.6085170     2.774315       0.8751165     2.355270       0.8467312 
1 1 1 13 8  24 o 0.6363080      0.6015757     0.8290930      0.8860533     0.4714496      0.8193677 
1 1 1 13 8  25 o 0.3143495E-01  0.2611768     -0.4005017E-01 0.3251280     0.1614856      0.4385336 
1 1 1 13 8  26 f -0.1531838     0.3172413     -0.2228089     0.3956194     -0.2776980E-01 0.5309673 
1 1 1 13 8  27 o -0.2646326     0.3329040     -0.6257218E-01 0.4652797     -0.4765702     0.4765159 
1 1 1 13 8  28 o 0.8875054      0.3711766     1.002313       0.5333213     0.7796550      0.5169093 
1 1 1 13 8  29 o -0.1060578     0.3293098     -0.1449475     0.4055071     -0.3073539E-01 0.5643435 
1 1 1 13 8  30 o 0.5795949      0.3553152     0.2680795      0.4263834     1.287529       0.6427718 
1 1 1 13 8  31 f 0.9680941      0.3669498     1.244710       0.4496817     0.4167908      0.6348370 
1 1 1 13 9  0  o 12.51527       0.5751702     12.51527       0.4067067     ?              ?         
1 1 1 13 9  1  o 13.09228       0.4093921     13.36954       0.5937886     12.84108       0.5652044 
1 1 1 13 9  2  o 58.90094       0.7530537     60.82142       1.108733      57.25630       1.026027  
1 1 1 13 9  3  o 367.3655       3.375718      373.3817       4.926141      362.0391       4.635112  
1 1 1 13 9  4  o 235.2333       2.268226      240.6120       3.317950      230.5142       3.107859  
1 1 1 13 9  5  o 130.2686       1.368513      131.3089       1.995100      129.3442       1.880702  
1 1 1 13 9  6  o 12.94830       0.4188058     12.96948       0.6208259     12.93062       0.5673427 
1 1 1 13 9  7  o 36.54493       0.5773990     36.24433       0.8504533     36.80198       0.7864304 
1 1 1 13 9  8  o 84.48071       0.9998096     86.09952       1.524871      83.25999       1.324165  
1 1 1 13 9  9  o 125.3797       1.366386      124.1710       2.058569      126.3316       1.826841  
1 1 1 13 9  10 f 50.26657       0.7066122     50.34626       1.082781      50.20746       0.9325615 
1 1 1 13 9  11 o 45.67364       0.6702989     45.58589       1.030208      45.73806       0.8826890 
1 1 1 13 9  12 o 32.90202       0.5762991     32.54485       0.8565173     33.19748       0.7790056 
1 1 1 13 9  13 o 22.81578       0.4577823     23.00534       0.7464461     22.70150       0.5795712 
1 1 1 13 9  14 o 0.9981075      0.2765513     0.7739977      0.5194271     1.086767       0.3267064 
1 1 1 13 9  15 o 14.33285       0.3615946     13.23950       0.5974078     14.96499       0.4542542 
1 1 1 13 9  16 o 5.881833       0.3050049     5.327150       0.4803153     6.256637       0.3948263 
1 1 1 13 9  17 o 5.766634       0.3015156     5.461900       0.4295504     6.062610       0.4233324 
1 1 1 13 9  18 o 2.133409       0.2600164     2.136495       0.4103087     2.131338       0.3361245 
1 1 1 13 9  19 o 1.619892       0.5937786     0.7876867      0.8588651     2.381854       0.8218189 
1 1 1 13 9  20 f 0.5689585      0.5808242     0.1410545      0.8430336     0.9556111      0.8013682 
1 1 1 13 9  21 o 0.3063142      0.5834997     -0.1309407     0.8475309     0.7003282      0.8045333 
1 1 1 13 9  22 o 4.758031       0.6091674     4.414711       0.8616042     5.101173       0.8613815 
1 1 1 13 9  23 f 3.156257       0.3511500     4.001713       0.5827879     2.674366       0.4399865 
1 1 1 13 9  24 o 1.129674       0.3195719     1.080398       0.4196702     1.197682       0.4930263 
1 1 1 13 9  25 o 0.5124354      0.3089194     0.3974471      0.4409215     0.6233004      0.4329438 
1 1 1 13 9  26 o 1.056386       0.3366845     0.8493963      0.4742901     1.266644       0.4780194 
1 1 1 13 9  27 o 0.6517903      0.3710131     0.3954106      0.5253484     0.9068922      0.5240376 
1 1 1 13 9  28 o 0.5288653      0.3914124     -0.1779486     0.5717514     1.152291       0.5369663 
1 1 1 13 9  29 o 0.1808197      0.4050683     -0.7997727E-01 0.5873592     0.4173546      0.5593712 
1 1 1 13 9  30 o -0.2729444     0.3607355     -0.2437443     0.4526044     -0.3237979     0.5972929 
1 1 1 13 10 0  o 98.87625       1.511034      98.87625       1.068462      ?              ?         
1 1 1 13 10 1  f 27.20340       0.5068718     25.88646       0.7048764     28.61358       0.7294025 
1 1 1 13 10 2  o 1.819452       0.3808008     1.960482       0.5581309     1.696626       0.5208655 
1 1 1 13 10 3  o 38.07273       0.6013621     38.50363       0.8817097     37.69794       0.8223036 
1 1 1 13 10 4  o 214.5739       2.118086      217.7054       3.083270      211.7756       2.914686  
1 1 1 13 10 5  o 217.4124       2.133045      223.3465       3.139708      212.3257       2.906889  
1 1 1 13 10 6  o 164.3977       1.684722      166.6851       2.467033      162.3988       2.306202  
1 1 1 13 10 7  o 70.49433       0.8945296     72.75089       1.370268      68.81846       1.180868  
1 1 1 13 10 8  o 10.54863       0.4471968     10.00790       0.7047063     10.91319       0.5786316 
1 1 1 13 10 9  o 0.1719114      0.4021306     0.9660568      0.6442857     -0.3348880     0.5146909 
1 1 1 13 10 10 o 6.030538       0.4115463     5.479202       0.6551901     6.389825       0.5289075 
1 1 1 13 10 11 o 4.435641       0.4006373     4.165328       0.6453689     4.605132       0.5110309 
1 1 1 13 10 12 o 23.73207       0.5201948     23.69915       0.8067604     23.75550       0.6805664 
1 1 1 13 10 13 o 68.95122       0.8877641     71.55016       1.364607      67.04411       1.168954  
1 1 1 13 10 14 o 98.85957       1.114273      98.73402       1.747663      98.94556       1.446386  
1 1 1 13 10 15 o 32.15445       0.5442076     32.23245       0.8773152     32.10567       0.6938268 
1 1 1 13 10 16 o 8.928382       0.3427624     8.629821       0.6034338     9.070596       0.4164718 
1 1 1 13 10 17 o 1.940172       0.3101293     1.798270       0.5158373     2.020499       0.3881046 
1 1 1 13 10 18 o 0.9003519      0.2957551     0.6495585      0.4944732     1.040050       0.3690455 
1 1 1 13 10 19 o 1.900293       0.3000204     2.393402       0.4654466     1.549772       0.3924238 
1 1 1 13 10 20 o 0.5045074      0.2925954     0.5451952      0.4475026     0.4741239      0.3867077 
1 1 1 13 10 21 f 6.518337       0.3361310     5.878624       0.4930792     7.073705       0.4594252 
1 1 1 13 10 22 f 2.764297       0.3146314     2.630538       0.4676429     2.874919       0.4252798 
1 1 1 13 10 23 o 1.796734       0.3281711     1.991567       0.4842935     1.631312       0.4462457 
1 1 1 13 10 24 o 0.9471108      0.3568707     0.9498289      0.5345750     0.9449255      0.4793174 
1 1 1 13 10 25 o 1.635455       0.3552127     1.501663       0.5099913     1.761515       0.4950358 
1 1 1 13 10 26 o 0.5985263E-01  0.3700907     -0.4611402     0.5293042     0.5581834      0.5176644 
1 1 1 13 10 27 o 1.486040       0.3936376     1.128091       0.5647402     1.824278       0.5489699 
1 1 1 13 10 28 o 1.081277       0.4127935     1.313433       0.6032605     0.8768637      0.5660692 
1 1 1 13 10 29 f 0.8721768E-01  0.4270934     -0.8114329     0.6334722     0.8361353      0.5782946 
1 1 1 13 10 30 o 0.3968919      0.4497404     1.303607       0.6578523     -0.3987499     0.6162426 
1 1 1 13 11 0  o 206.2857       2.838614      206.2857       2.007203      ?              ?         
1 1 1 13 11 1  o 202.1872       1.967757      202.3571       2.778507      202.0163       2.787170  
1 1 1 13 11 2  o 76.47911       0.9024042     77.60225       1.277977      75.36223       1.274415  
1 1 1 13 11 3  f 75.62302       0.9267854     76.89992       1.358520      74.51141       1.267548  
1 1 1 13 11 4  o 56.64818       0.7661883     58.98481       1.140178      54.72423       1.034607  
1 1 1 13 11 5  o 24.64062       0.5281121     25.77054       0.7933708     23.74160       0.7076797 
1 1 1 13 11 6  o 7.928613       0.4308143     8.922597       0.6404063     7.106927       0.5822625 
1 1 1 13 11 7  o 10.94049       0.4707497     11.81328       0.7272609     10.31109       0.6175851 
1 1 1 13 11 9  o 12.55543       0.4864323     12.59498       0.7550293     12.52737       0.6360173 
1 1 1 13 11 10 o 22.47380       0.5276557     23.97699       0.8433368     21.50678       0.6764097 
1 1 1 13 11 11 o 3.979003       0.4288848     4.499807       0.6826761     3.639421       0.5512522 
1 1 1 13 11 12 o 20.25978       0.5027711     20.06113       0.7805229     20.40066       0.6573012 
1 1 1 13 11 13 o 21.46861       0.4707704     21.07678       0.7856650     21.68809       0.5880225 
1 1 1 13 11 14 f 7.379457       0.3739505     7.542424       0.6580645     7.301733       0.4544574 
1 1 1 13 11 15 o 1.756593       0.3351237     2.471873       0.6015581     1.434705       0.4035445 
1 1 1 13 11 16 o 2.761396       0.3224294     2.816733       0.5936294     2.738239       0.3840108 
1 1 1 13 11 17 o 6.472174       0.3362066     6.077059       0.5953024     6.657224       0.4073993 
1 1 1 13 11 18 o 2.104886       0.3487982     1.638619       0.5533255     2.412330       0.4493101 
1 1 1 13 11 19 o 3.789793       0.3524724     3.962920       0.5543281     3.672287       0.4566838 
1 1 1 13 11 20 o 6.387512       0.3719254     7.633214       0.5744759     5.488600       0.4880039 
1 1 1 13 11 21 f 2.677363       0.3562424     2.865282       0.5431598     2.535504       0.4719233 
1 1 1 13 11 22 f 1.976626       0.3556305     3.191974       0.5558887     1.134567       0.4627099 
1 1 1 13 11 23 o 3.647511       0.3823842     3.664516       0.5751644     3.634043       0.5118943 
1 1 1 13 11 24 o 2.035927       0.3814005     1.898051       0.5617778     2.153817       0.5194671 
1 1 1 13 11 25 o 3.939003       0.4069609     3.116445       0.5881442     4.694590       0.5636935 
1 1 1 13 11 26 o 1.298496       0.4113090     0.9425847      0.5936280     1.627126       0.5704231 
1 1 1 13 11 27 f 0.7502327E-01  0.4230154     -0.1899322     0.6127259     0.3163151      0.5847242 
1 1 1 13 11 28 o 0.3050361      0.4438849     0.1676568      0.6450040     0.4286381      0.6118069 
1 1 1 13 11 29 o 0.8701486      0.4579180     1.004992       0.6698650     0.7518578      0.6274060 
1 1 1 13 12 0  o 86.07845       1.413173      86.07845       0.9992645     ?              ?         
1 1 1 13 12 1  f 71.03859       0.8775358     70.57383       1.240068      71.50478       1.241980  
1 1 1 13 12 2  o 17.55919       0.5046482     18.14406       0.7204024     16.99566       0.7071430 
1 1 1 13 12 3  o 1.831074       0.4351253     2.065802       0.6305276     1.617647       0.6012371 
1 1 1 13 12 4  o 8.588809       0.4659880     8.643682       0.6927385     8.543459       0.6297663 
1 1 1 13 12 5  o 2.617824       0.4426189     2.060701       0.6604186     3.072146       0.5963833 
1 1 1 13 12 6  o 14.19823       0.5192536     14.70697       0.8037651     13.83382       0.6802614 
1 1 1 13 12 7  o 4.139054       0.4841609     3.184085       0.7637771     4.780579       0.6260062 
1 1 1 13 12 8  o 4.861885       0.4610493     4.398612       0.7475841     5.146239       0.5856950 
1 1 1 13 12 9  o 8.166168       0.4773670     8.133324       0.7398928     8.189590       0.6248038 
1 1 1 13 12 10 o 8.741640       0.4757358     8.874243       0.7439821     8.649915       0.6187735 
1 1 1 13 12 11 o 24.91595       0.5571569     24.07713       0.8672580     25.50546       0.7270359 
1 1 1 13 12 12 o 8.388699       0.4506935     8.611312       0.7042971     8.234323       0.5865030 
1 1 1 13 12 13 o 0.9839197      0.3593087     0.5601295      0.6397667     1.179183       0.4342664 
1 1 1 13 12 14 o 0.7331260      0.3594366     0.5546995      0.6291155     0.8195945      0.4379549 
1 1 1 13 12 15 o 7.348011       0.3748932     7.376975       0.6514654     7.333670       0.4584005 
1 1 1 13 12 16 o 1.978512       0.3445085     1.676743       0.6080105     2.121209       0.4181020 
1 1 1 13 12 17 o 4.712327       0.3463854     4.139937       0.6263176     4.964547       0.4157552 
1 1 1 13 12 18 o 4.431878       0.3536482     4.371319       0.6134862     4.462017       0.4327942 
1 1 1 13 12 19 f 1.731153       0.3582659     2.226970       0.5894388     1.440669       0.4511689 
1 1 1 13 12 20 o 1.871979       0.3616170     1.887741       0.5869311     1.862336       0.4591050 
1 1 1 13 12 21 o 5.267032       0.3888683     4.674664       0.6184913     5.654285       0.5000761 
1 1 1 13 12 22 o 5.099513       0.4046145     5.530422       0.6115035     4.763940       0.5396345 
1 1 1 13 12 23 o 2.348340       0.4067437     1.876741       0.6118754     2.721736       0.5444545 
1 1 1 13 12 24 o 2.914082       0.4180935     3.326664       0.6274190     2.584543       0.5607320 
1 1 1 13 12 25 o -0.2165585     0.4152281     -0.8555588E-01 0.6137623     -0.3271208     0.5638500 
1 1 1 13 12 26 f 1.548139       0.4365669     1.844754       0.6415260     1.292297       0.5958038 
1 1 1 13 12 27 o 1.509981       0.4488853     2.002798       0.6569777     1.078463       0.6147623 
1 1 1 13 12 28 o 0.4595729      0.4641219     0.4834409      0.6852202     0.4393406      0.6308772 
1 1 1 13 12 29 o 0.3022671      0.4767395     0.4039648      0.7017701     0.2151108      0.6496636 
1 1 1 13 13 0  o 0.4864019      0.6276065     0.4864019      0.4437848     ?              ?         
1 1 1 13 13 1  o 21.77894       0.5483648     20.63148       0.7677360     22.97406       0.7835144 
1 1 1 13 13 2  o 45.01997       0.6940396     44.48611       0.9770776     45.56366       0.9860240 
1 1 1 13 13 3  o 47.24165       0.7142429     47.53947       1.022868      46.95826       0.9977828 
1 1 1 13 13 4  o 23.12213       0.5544612     23.40479       0.7991815     22.85981       0.7698917 
1 1 1 13 13 5  o 29.27916       0.6087597     29.29411       0.9059747     29.26685       0.8219746 
1 1 1 13 13 6  o 28.15255       0.6207947     28.64744       0.9674584     27.80615       0.8094056 
1 1 1 13 13 7  o 34.98740       0.6603004     35.80360       1.020459      34.39953       0.8660390 
1 1 1 13 13 8  o 16.28704       0.5343271     16.25862       0.8259721     16.30749       0.7006934 
1 1 1 13 13 9  o 13.54446       0.5096454     14.16739       0.7969794     13.11351       0.6628973 
1 1 1 13 13 10 o 6.604909       0.4745508     6.405085       0.7475379     6.739796       0.6141770 
1 1 1 13 13 11 o 0.9145273E-01  0.4430054     -0.2242191     0.6939338     0.3086061      0.5755506 
1 1 1 13 13 12 o 3.703214       0.4374830     3.111034       0.6841379     4.112890       0.5690323 
1 1 1 13 13 13 o 17.57166       0.4610932     16.55362       0.7658055     18.15061       0.5775077 
1 1 1 13 13 14 f 36.29519       0.6045524     34.39138       0.9550726     37.56798       0.7809148 
1 1 1 13 13 15 o 23.78637       0.5015737     23.03558       0.8235688     24.22903       0.6323808 
1 1 1 13 13 16 o 15.76121       0.4416477     15.70914       0.7444732     15.78949       0.5486107 
1 1 1 13 13 17 o 3.847803       0.3578681     3.330009       0.6319761     4.092210       0.4341896 
1 1 1 13 13 18 o 6.397891       0.3831219     6.373418       0.6594273     6.410361       0.4707181 
1 1 1 13 13 19 f 4.906959       0.3739782     4.161516       0.6352050     5.302433       0.4626646 
1 1 1 13 13 20 o 7.116237       0.4682966     7.467165       0.7361463     6.877685       0.6069409 
1 1 1 13 13 21 o 7.255421       0.4181898     7.187137       0.6602824     7.301158       0.5403908 
1 1 1 13 13 22 o 5.304570       0.4218449     5.349446       0.6779302     5.276214       0.5388818 
1 1 1 13 13 23 f 2.407343       0.4214466     2.322194       0.6625284     2.465217       0.5462044 
1 1 1 13 13 24 o 2.333396       0.4395880     1.914548       0.6704804     2.649179       0.5821731 
1 1 1 13 13 25 o 1.316348       0.4354588     0.9873434      0.6689703     1.558256       0.5736287 
1 1 1 13 13 26 o -0.2234952     0.4441926     -0.3200639     0.6685712     -0.1471828     0.5943288 
1 1 1 13 13 27 o 0.5270988      0.4800675     1.437683       0.7153090     -0.2191883     0.6475699 
1 1 1 13 13 28 o 1.058471       0.4855261     1.397806       0.7128795     0.7648757      0.6630956 
1 1 1 13 14 0  o 0.6205357      0.6769553     0.6205357      0.4786797     ?              ?         
1 1 1 13 14 1  o 8.734243       0.4953052     9.141588       0.7167853     8.361991       0.6852153 
1 1 1 13 14 2  o 11.23949       0.5059837     11.46792       0.7193037     11.01575       0.7118919 
1 1 1 13 14 3  o 6.556664       0.4823824     7.547211       0.6864811     5.590495       0.6779817 
1 1 1 13 14 4  o 5.130454       0.4703988     4.574348       0.6655351     5.685588       0.6649540 
1 1 1 13 14 5  o 0.7869449      0.4853012     0.7457314      0.7211741     0.8210537      0.6560746 
1 1 1 13 14 6  o 11.55467       0.5223478     12.08102       0.7838900     11.13431       0.7005398 
1 1 1 13 14 7  o 11.76459       0.5324057     11.93201       0.8289294     11.64702       0.6946210 
1 1 1 13 14 8  o -0.1001997     0.4703317     -0.8747838E-01 0.7442693     -0.1086574     0.6068646 
1 1 1 13 14 9  o 2.916190       0.4736741     3.518200       0.7451961     2.508057       0.6135769 
1 1 1 13 14 10 o 3.257108       0.4566711     2.834973       0.7209848     3.539934       0.5901476 
1 1 1 13 14 11 o 2.404835       0.4519758     2.200576       0.7021897     2.549323       0.5905814 
1 1 1 13 14 12 o 1.329327       0.4443700     2.036376       0.6951813     0.8408346      0.5778329 
1 1 1 13 14 13 o 5.032346       0.4032186     5.578631       0.6947927     4.754921       0.4951285 
1 1 1 13 14 14 f 3.760595       0.3969650     3.521389       0.6716331     3.889020       0.4921222 
1 1 1 13 14 15 o 0.5769187      0.3675759     0.8985314      0.6567811     0.4302391      0.4435462 
1 1 1 13 14 16 o 3.361468       0.3742046     3.102951       0.6578848     3.485108       0.4549732 
1 1 1 13 14 17 o 1.163318       0.3588480     0.5604151      0.6514658     1.425928       0.4299557 
1 1 1 13 14 18 o 0.6526883      0.3675628     0.5693185      0.6469590     0.6924248      0.4466499 
1 1 1 13 14 19 o 1.200433       0.3784184     1.312892       0.6541024     1.143858       0.4639410 
1 1 1 13 14 20 o 2.308471       0.3782710     0.9650028      0.6508064     2.993900       0.4648570 
1 1 1 13 14 21 o 1.388333       0.4185475     0.6365152      0.6731654     1.862144       0.5344018 
1 1 1 13 14 22 o 2.481175       0.4176303     2.744588       0.6674057     2.311652       0.5354082 
1 1 1 13 14 23 o 2.630252       0.4432220     2.833616       0.7124946     2.501879       0.5660844 
1 1 1 13 14 24 o 0.8863834      0.4420378     0.7998920      0.7019903     0.9432111      0.5690168 
1 1 1 13 14 25 o 0.4128724      0.4537960     0.3306938      0.6837063     0.4775822      0.6067013 
1 1 1 13 14 26 o -0.1975722     0.4763393     0.1154976      0.7217432     -0.4391769     0.6340375 
1 1 1 13 14 27 f 0.2373773      0.4857909     0.1593541      0.7409770     0.2961944      0.6433457 
1 1 1 13 15 0  o 15.67291       0.7414637     15.67291       0.5242940     ?              ?         
1 1 1 13 15 1  o 14.52616       0.5288540     14.06005       0.7463374     14.99622       0.7494977 
1 1 1 13 15 2  o 3.878870       0.4847841     3.498496       0.6928378     4.243730       0.6785616 
1 1 1 13 15 3  o 2.285383       0.4759489     1.648558       0.6795166     2.898685       0.6668489 
1 1 1 13 15 4  o 9.232606       0.5201491     9.622590       0.7702721     8.905704       0.7052277 
1 1 1 13 15 5  f 16.02527       0.5528340     16.02171       0.8181055     16.02826       0.7499798 
1 1 1 13 15 6  o 12.79530       0.5266493     13.44140       0.7899666     12.27841       0.7065794 
1 1 1 13 15 7  o 17.72993       0.5641347     18.81219       0.8788394     16.97146       0.7357181 
1 1 1 13 15 8  o 18.40234       0.5639189     18.63980       0.8639280     18.22606       0.7443655 
1 1 1 13 15 9  o 8.969701       0.4999231     9.896791       0.7992263     8.373821       0.6407487 
1 1 1 13 15 10 o 8.596280       0.4864325     8.453086       0.7611245     8.695149       0.6324484 
1 1 1 13 15 11 o 9.227558       0.4794664     9.722232       0.7633753     8.905272       0.6161675 
1 1 1 13 15 12 o 2.180545       0.4500524     1.805913       0.6956855     2.450168       0.5901874 
1 1 1 13 15 13 f 1.093643       0.3980284     1.052773       0.6752870     1.115401       0.4927155 
1 1 1 13 15 14 o 2.239132       0.4088480     1.120619       0.6870530     2.852369       0.5087260 
1 1 1 13 15 15 o 3.044358       0.4007906     2.474176       0.6895781     3.335226       0.4925213 
1 1 1 13 15 16 o 2.852388       0.3944440     2.109906       0.6821629     3.225321       0.4834602 
1 1 1 13 15 17 o 1.848862       0.3837635     2.252465       0.6885505     1.666991       0.4622110 
1 1 1 13 15 18 f 4.815679       0.4118501     4.182266       0.7019627     5.148175       0.5085852 
1 1 1 13 15 19 o 3.155720       0.3981495     3.230449       0.7062534     3.120906       0.4820524 
1 1 1 13 15 20 o 5.074428       0.4163569     4.699540       0.7057131     5.274589       0.5156650 
1 1 1 13 15 21 o 1.367056       0.4374237     1.385115       0.7022446     1.355607       0.5591461 
1 1 1 13 15 22 o 0.7342582      0.4546225     0.4748957      0.7269486     0.9008523      0.5826128 
1 1 1 13 15 24 o 1.716113       0.4684914     1.241768       0.7363232     2.038750       0.6072659 
1 1 1 13 15 25 o 0.7199507      0.4741510     0.8060678      0.7493463     0.6624492      0.6123182 
1 1 1 13 15 26 o 1.434604       0.4925157     1.166114       0.7661687     1.623686       0.6429629 
1 1 1 13 15 27 o 0.7315778      0.5150104     -0.9407115     0.7702655     2.083565       0.6925818 
1 1 1 13 16 0  o 28.33670       0.8771656     28.33670       0.6202497     ?              ?         
1 1 1 13 16 1  f 18.63280       0.5510997     18.02531       0.7725576     19.26221       0.7863715 
1 1 1 13 16 2  f 22.96054       0.5714139     24.11397       0.8127304     21.83301       0.8035503 
1 1 1 13 16 3  o 21.22404       0.5835746     22.00274       0.8672614     20.57972       0.7888922 
1 1 1 13 16 4  o 9.786352       0.5112948     10.46952       0.7523101     9.199922       0.6970122 
1 1 1 13 16 5  o 1.673507       0.4781262     2.727474       0.7235990     0.8567305      0.6369953 
1 1 1 13 16 6  o 3.909942       0.4830987     4.214980       0.7122947     3.650101       0.6574105 
1 1 1 13 16 7  f 9.996000       0.4940956     9.814147       0.7187515     10.15894       0.6803429 
1 1 1 13 16 8  o 6.609138       0.4838044     5.638569       0.7611591     7.267060       0.6266849 
1 1 1 13 16 9  o 10.73719       0.5039873     10.52029       0.7643295     10.90404       0.6703693 
1 1 1 13 16 10 o 5.512612       0.4750217     5.251501       0.7399039     5.695695       0.6195660 
1 1 1 13 16 11 o 6.376071       0.4671496     7.344708       0.7362254     5.723246       0.6044062 
1 1 1 13 16 12 o 5.024498       0.4667172     5.588567       0.7143664     4.604428       0.6164758 
1 1 1 13 16 13 o 4.115856       0.4106306     2.763181       0.7000062     4.825535       0.5070331 
1 1 1 13 16 14 o 5.519494       0.4293717     5.658748       0.7320547     5.446465       0.5301357 
1 1 1 13 16 15 o 3.411248       0.4091687     3.263527       0.7088259     3.485069       0.5010830 
1 1 1 13 16 16 o 1.584120       0.3933730     1.904686       0.6792811     1.422372       0.4825152 
1 1 1 13 16 17 o 0.2873174      0.3877969     -0.7748396     0.7008079     0.7560957      0.4655737 
1 1 1 13 16 18 o 0.1384699      0.4081626     -0.5572267     0.7157649     0.4737119      0.4968664 
1 1 1 13 16 19 o 0.7756588      0.4095134     0.6369501      0.6883094     0.8516602      0.5094981 
1 1 1 13 16 20 o 1.254503       0.4346564     1.171004       0.7343964     1.299522       0.5392464 
1 1 1 13 16 21 o 0.9793879      0.4344607     -0.4448323E-01 0.7502562     1.495954       0.5329051 
1 1 1 13 16 22 f 0.3002029      0.4631597     0.5178257      0.7496744     0.1658592      0.5890191 
1 1 1 13 16 23 o -0.2089683     0.4828165     -0.1277429E-02 0.7529157     -0.3540237     0.6292229 
1 1 1 13 16 24 o 0.2234663      0.4878720     0.4791159      0.7871808     0.6402197E-01  0.6216652 
1 1 1 13 16 25 o 0.3988527      0.4906836     0.5158555      0.7877984     0.3246908      0.6272016 
1 1 1 13 16 26 o 0.5663640      0.4981125     1.622826       0.8051875     -0.8860340E-01 0.6339865 
1 1 1 13 17 0  o 34.45250       0.9119874     34.45250       0.6448725     ?              ?         
1 1 1 13 17 1  o 23.39088       0.5766488     22.29632       0.8087584     24.52274       0.8224223 
1 1 1 13 17 2  o 14.36486       0.5233002     14.68863       0.7417950     14.04410       0.7383336 
1 1 1 13 17 3  f 2.009874       0.4942093     2.002017       0.7416181     2.016151       0.6628339 
1 1 1 13 17 4  o 1.281017       0.4821743     0.8687071      0.7302843     1.599673       0.6420081 
1 1 1 13 17 5  o 12.00453       0.5283499     11.47533       0.7873437     12.43807       0.7126296 
1 1 1 13 17 6  f 20.02674       0.5712568     19.56677       0.8304608     20.43987       0.7870447 
1 1 1 13 17 7  o 5.392339       0.4901941     5.964242       0.7163728     4.888774       0.6722108 
1 1 1 13 17 8  o 3.182480       0.4653100     3.152913       0.6965844     3.206303       0.6252722 
1 1 1 13 17 9  o 1.608708       0.4708829     1.845963       0.7160371     1.427915       0.6250547 
1 1 1 13 17 10 o 2.650863       0.4637884     1.261104       0.7118689     3.675821       0.6113406 
1 1 1 13 17 11 o 1.546625       0.4666509     1.314574       0.7093650     1.723660       0.6195947 
1 1 1 13 17 12 o 2.703273       0.4803993     2.423804       0.7398392     2.907003       0.6316826 
1 1 1 13 17 13 o 0.5262715      0.4227193     0.3945424      0.7022610     0.6011219      0.5293645 
1 1 1 13 17 14 o 1.351746       0.4157012     0.8830466      0.7030323     1.603715       0.5154683 
1 1 1 13 17 15 o 0.7068097      0.4170571     1.848385       0.7230904     0.1377393      0.5105324 
1 1 1 13 17 16 o 0.6997610      0.4118491     1.565862       0.7232127     0.2840828      0.5010263 
1 1 1 13 17 17 f 2.446943       0.4310432     3.085066       0.7467844     2.128132       0.5278488 
1 1 1 13 17 18 o 1.145966       0.4348664     0.6415141      0.7575518     1.393892       0.5310853 
1 1 1 13 17 19 o 0.9756259      0.4294486     0.9893109      0.7564086     0.9691165      0.5216800 
1 1 1 13 17 20 o 0.1389074      0.4424916     -0.8186556E-01 0.7544451     0.2546771      0.5463263 
1 1 1 13 17 21 o 0.5314741      0.4509175     0.2659502      0.7933165     0.6581993      0.5480576 
1 1 1 13 17 22 o 0.9851729      0.4576603     1.950428       0.7972955     0.5108351      0.5589101 
1 1 1 13 17 23 f 0.3130089      0.5045279     0.6637158      0.8044375     0.8560595E-01  0.6477661 
1 1 1 13 17 24 o 0.4625641      0.5160183     0.1716432      0.8263558     0.6485146      0.6606604 
1 1 1 13 17 25 o 0.6434122      0.5141501     0.4340958      0.8052943     0.7874523      0.6680284 
1 1 1 13 18 0  o 0.4004633      0.6674185     0.4004633      0.4719362     ?              ?         
1 1 1 13 18 1  o 4.748098       0.4747900     4.343397       0.6615703     5.177922       0.6817953 
1 1 1 13 18 2  o 14.16249       0.5499653     13.78004       0.8315154     14.45989       0.7332555 
1 1 1 13 18 3  o 17.31814       0.5627807     16.84256       0.8279356     17.72660       0.7673026 
1 1 1 13 18 4  o 14.02956       0.5574793     13.63546       0.8172275     14.37257       0.7624133 
1 1 1 13 18 5  o 0.4372279      0.4814959     -0.4673823     0.7231063     1.157816       0.6453794 
1 1 1 13 18 6  o 11.31652       0.5238993     11.13625       0.7712470     11.47097       0.7138845 
1 1 1 13 18 7  o 11.79679       0.5088145     10.71465       0.7646619     12.65665       0.6816208 
1 1 1 13 18 8  o 12.09172       0.5184623     12.60239       0.7639869     11.65577       0.7058876 
1 1 1 13 18 9  o 5.659135       0.4689018     5.290100       0.6910359     5.974042       0.6383480 
1 1 1 13 18 10 o 6.097486       0.4930116     6.483877       0.7615167     5.818677       0.6468745 
1 1 1 13 18 11 o 5.165215       0.4915937     5.542774       0.7712581     4.906865       0.6379863 
1 1 1 13 18 12 o 0.5407060      0.4846983     1.021573       0.7497287     0.1953980      0.6353238 
1 1 1 13 18 13 o 1.964839       0.4402402     1.659541       0.7407941     2.131532       0.5473874 
1 1 1 13 18 14 o 2.870278       0.4399053     2.240370       0.7490926     3.201861       0.5434921 
1 1 1 13 18 15 o 0.5754023      0.4426574     0.2757989      0.7585031     0.7301436      0.5451137 
1 1 1 13 18 16 f 3.981217       0.4563849     3.630972       0.7834343     4.161130       0.5614977 
1 1 1 13 18 17 o 0.8052376      0.4394667     1.013941       0.7729717     0.7055549      0.5342057 
1 1 1 13 18 18 o 1.068491       0.4380600     1.865338       0.7826618     0.7049884      0.5286164 
1 1 1 13 18 19 o 1.214691       0.4612119     1.892474       0.8010832     0.8786310      0.5640798 
1 1 1 13 18 20 o 1.011434       0.4681021     1.209018       0.8097625     0.9122705      0.5736651 
1 1 1 13 18 21 o 0.5637540      0.4802644     1.226040       0.8136045     0.2095703      0.5949834 
1 1 1 13 18 22 f 1.358922       0.4950434     2.040891       0.8486542     1.007180       0.6094815 
1 1 1 13 18 23 f 1.526600       0.5210476     1.701939       0.8225080     1.409070       0.6734021 
1 1 1 13 18 24 o 0.1574599      0.5335804     0.2789232      0.8340908     0.7331974E-01  0.6942128 
1 1 1 13 19 0  o 23.83628       0.8406249     23.83628       0.5944116     ?              ?         
1 1 1 13 19 1  o 30.55768       0.6500397     29.17638       0.9512066     31.76800       0.8903937 
1 1 1 13 19 2  o 43.95715       0.7366897     45.28111       1.095572      42.86445       0.9953042 
1 1 1 13 19 3  o 33.24057       0.6605931     33.21015       0.9576190     33.26818       0.9124559 
1 1 1 13 19 4  f 19.58770       0.5726927     18.80225       0.8260663     20.31458       0.7946657 
1 1 1 13 19 5  o 21.25894       0.5964028     20.76186       0.8688148     21.70191       0.8201677 
1 1 1 13 19 6  o 5.835835       0.4859143     6.000796       0.7272898     5.702828       0.6530608 
1 1 1 13 19 7  o 2.307558       0.4820091     1.885552       0.7081583     2.671830       0.6579365 
1 1 1 13 19 8  o 10.19667       0.5046950     9.429064       0.7415209     10.85914       0.6888761 
1 1 1 13 19 9  o 9.630911       0.5104759     9.886570       0.7526539     9.413125       0.6946710 
1 1 1 13 19 10 o 6.353556       0.4927393     6.781623       0.7198975     5.976256       0.6758625 
1 1 1 13 19 11 o 4.717843       0.5027657     4.254892       0.7781984     5.049519       0.6586879 
1 1 1 13 19 12 o 6.299226       0.5155003     5.717442       0.7815716     6.747205       0.6858302 
1 1 1 13 19 13 o 6.458230       0.4881468     5.507792       0.7979515     7.026641       0.6170862 
1 1 1 13 19 14 o 2.709568       0.4531900     2.042923       0.7700151     3.062862       0.5605575 
1 1 1 13 19 15 o 1.398586       0.4603023     1.068627       0.7930861     1.566196       0.5652487 
1 1 1 13 19 16 o 1.069456       0.4659019     1.803817       0.7978644     0.6894913      0.5739125 
1 1 1 13 19 17 o -0.4269592     0.4670397     -0.6532247     0.8141525     -0.3159802     0.5701867 
1 1 1 13 19 18 o 0.7920061      0.4570413     1.659052       0.8218411     0.4037949      0.5499216 
1 1 1 13 19 19 o 1.493445       0.4972634     2.537650       0.8373025     0.9244742      0.6180654 
1 1 1 13 19 20 o 3.148427       0.5044872     2.859054       0.8663053     3.296917       0.6205689 
1 1 1 13 19 21 f 3.379147       0.5944449     1.616976       0.8809417     4.852292       0.8054636 
1 1 1 13 19 22 f 0.7985841      0.4967816     1.387625       0.8436404     0.4859174      0.6146470 
1 1 1 13 19 23 o 0.6430069      0.5095888     1.155713       0.8957273     0.3976539      0.6196367 
1 1 1 13 20 0  f 8.965866       0.7826363     8.965866       0.5534074     ?              ?         
1 1 1 13 20 1  f 13.74760       0.5368646     12.99139       0.7765392     14.43999       0.7430500 
1 1 1 13 20 2  o 10.48629       0.5306241     10.59753       0.7889093     10.39438       0.7170577 
1 1 1 13 20 3  o 10.50102       0.5322291     10.36664       0.7848611     10.61543       0.7241682 
1 1 1 13 20 4  o 3.439191       0.5019020     2.833607       0.7311647     3.978816       0.6901988 
1 1 1 13 20 5  o 1.937887       0.5016272     0.8641847      0.7122079     2.994869       0.7066408 
1 1 1 13 20 6  o 2.714376       0.4961884     2.587747       0.7251932     2.825838       0.6803814 
1 1 1 13 20 7  o 0.3036319      0.4989780     0.2597109      0.7377890     0.3406568      0.6773957 
1 1 1 13 20 8  o -0.4276859     0.4794821     -0.2929806     0.7270956     -0.5313432     0.6378214 
1 1 1 13 20 9  o 1.315859       0.4776549     1.040573       0.7038126     1.550919       0.6503613 
1 1 1 13 20 10 o 1.184000       0.5001566     1.104774       0.7470029     1.248376       0.6733704 
1 1 1 13 20 11 o 1.836800       0.4962792     1.622308       0.7075575     2.044502       0.6962683 
1 1 1 13 20 12 o 4.272772       0.5359365     3.931471       0.8184573     4.528966       0.7091070 
1 1 1 13 20 13 o 3.161481       0.4844826     2.581066       0.8001335     3.497461       0.6087661 
1 1 1 13 20 14 o 0.6234578      0.4773169     -0.2330782     0.7899605     1.115994       0.5990341 
1 1 1 13 20 15 o 0.5988020      0.4944312     0.5702351      0.8293927     0.6145508      0.6158196 
1 1 1 13 20 16 o 0.4517063      0.5886739     1.039522       0.8292923     -0.1453235     0.8357666 
1 1 1 13 20 17 o 0.2510903      0.4942744     -0.6961711E-01 0.8592042     0.4097201      0.6042744 
1 1 1 13 20 18 o 0.9061298      0.4782745     0.6121490      0.8339593     1.050207       0.5838266 
1 1 1 13 20 19 o 1.924491       0.5138056     1.772553       0.8622664     2.008142       0.6397979 
1 1 1 13 20 20 o 1.192869       0.5163212     0.2470233      0.8555322     1.734723       0.6475414 
1 1 1 13 20 21 o 1.739491       0.5275577     1.620358       0.8956105     1.802791       0.6528389 
1 1 1 13 21 0  o 1.228323       0.7475885     1.228323       0.5286249     ?              ?         
1 1 1 13 21 1  o 1.109805       0.5327836     0.5236662E-01  0.7545803     2.161042       0.7523640 
1 1 1 13 21 2  o -0.8897001     0.5061214     -0.4467881     0.7447764     -1.269745      0.6898972 
1 1 1 13 21 3  o 0.5279131      0.4966426     0.8222811      0.7329507     0.2780290      0.6753031 
1 1 1 13 21 4  o 0.2616383      0.5055524     -0.2578814     0.7340786     0.7303497      0.6972594 
1 1 1 13 21 5  o -0.5852923     0.4986390     -0.4221343     0.7402743     -0.7208049     0.6746495 
1 1 1 13 21 6  o 4.898209       0.5214846     5.472433       0.7694030     4.410268       0.7092456 
1 1 1 13 21 7  o 8.717113       0.5403988     8.398522       0.7906199     8.996468       0.7403348 
1 1 1 13 21 8  o 15.18188       0.5994098     15.75229       0.8969731     14.72161       0.8057348 
1 1 1 13 21 9  o 13.74165       0.6102811     13.52032       0.8575677     13.96876       0.8686752 
1 1 1 13 21 10 o 2.953826       0.5119826     2.712984       0.7373733     3.178018       0.7114289 
1 1 1 13 21 11 o 0.8458834      0.5120232     0.4242787      0.7519706     1.210321       0.6991333 
1 1 1 13 21 12 f -0.2493395     0.5356122     -0.3819885     0.8099562     -0.1462525     0.7140216 
1 1 1 13 21 13 f 0.3438131      0.4946080     0.1240757      0.8348869     0.4626372      0.6139429 
1 1 1 13 21 14 o 2.242986       0.5130994     2.661335       0.8345845     1.988776       0.6505752 
1 1 1 13 21 15 o 4.404136       0.5629686     2.611545       0.9554133     5.357568       0.6967800 
1 1 1 13 21 16 o 3.013477       0.5231329     3.208292       0.8905137     2.910821       0.6464337 
1 1 1 13 21 17 o 2.040934       0.5288494     0.5344431      0.8911433     2.859933       0.6570613 
1 1 1 13 21 18 o -0.9449140E-01 0.5103548     0.8545021      0.8815381     -0.5729160     0.6259162 
1 1 1 13 21 19 f 0.9044920      0.5279207     0.7814658      0.8986356     0.9693265      0.6523607 
1 1 1 13 21 20 o 1.701960       0.5456383     0.6732222      0.9123702     2.274763       0.6808032 
1 1 1 13 22 0  o 4.731664       0.7883294     4.731664       0.5574330     ?              ?         
1 1 1 13 22 1  o 4.348561       0.5507445     4.256312       0.7921897     4.434856       0.7662011 
1 1 1 13 22 2  f 0.8975473      0.5369624     0.4168497      0.7787172     1.333294       0.7414144 
1 1 1 13 22 3  o 0.3435992      0.5064482     0.4400620      0.7266987     0.2525035      0.7061933 
1 1 1 13 22 4  o 2.237576       0.5097438     1.929904       0.7678893     2.479970       0.6815773 
1 1 1 13 22 5  o 3.976510       0.5281852     3.444505       0.7619302     4.468682       0.7328514 
1 1 1 13 22 6  o 0.8079112      0.5100983     0.3751209      0.7617098     1.159822       0.6868587 
1 1 1 13 22 7  o 2.505996       0.5173701     2.450339       0.7591439     2.554267       0.7069814 
1 1 1 13 22 8  o 2.007223       0.5235652     1.586239       0.7457557     2.416400       0.7352227 
1 1 1 13 22 9  o 0.1057946      0.5137806     0.1416718      0.7521430     0.7440914E-01  0.7034860 
1 1 1 13 22 10 o 1.152771       0.5141148     1.192959       0.7382432     1.114928       0.7163857 
1 1 1 13 22 11 o 1.184908       0.5355414     1.052174       0.7932336     1.296086       0.7259686 
1 1 1 13 22 12 o 0.3411347      0.5393559     0.8170247      0.7893054     -0.7572595E-01 0.7387326 
1 1 1 13 22 13 o 2.434741       0.5203084     3.262244       0.8587601     1.954776       0.6540207 
1 1 1 13 22 14 f 2.629686       0.5245526     1.746369       0.8746756     3.125804       0.6555132 
1 1 1 13 22 15 o 1.999190       0.5370082     1.771640       0.9138696     2.119202       0.6636801 
1 1 1 13 22 16 o -0.5181160     0.5184096     -0.3116820     0.8856976     -0.6256932     0.6393740 
1 1 1 13 22 17 o 0.1679957      0.5186560     0.2184377      0.9013449     0.1430258      0.6341663 
1 1 1 13 22 18 f 1.754633       0.5349263     1.056130       0.9130032     2.119747       0.6600890 
1 1 1 13 23 0  o -0.8405175     0.7813677     -0.8405175     0.5525104     ?              ?         
1 1 1 13 23 1  o 0.8593863      0.5751684     0.9746663      0.8187531     0.7470667      0.8081721 
1 1 1 13 23 2  o 4.771099       0.5762479     4.618772       0.8168336     4.922019       0.8130546 
1 1 1 13 23 3  o 10.67049       0.6099197     11.24183       0.8674809     10.11193       0.8577155 
1 1 1 13 23 4  o 9.387895       0.5769084     9.857735       0.8491486     8.985109       0.7862234 
1 1 1 13 23 5  o 1.442792       0.5279843     1.871966       0.7762336     1.073272       0.7202682 
1 1 1 13 23 6  o -0.4517762     0.5411494     -0.9194568     0.8024561     -0.6168931E-01 0.7328706 
1 1 1 13 23 7  o 4.331263       0.5462392     3.210442       0.7844968     5.386045       0.7610351 
1 1 1 13 23 8  o 8.936642       0.5807195     8.637404       0.8867525     9.161345       0.7684221 
1 1 1 13 23 9  o 11.46510       0.5896418     11.18497       0.8439906     11.73219       0.8241233 
1 1 1 13 23 10 o 5.853096       0.5720410     5.424917       0.8206744     6.257726       0.7977874 
1 1 1 13 23 11 o 1.174493       0.5411528     0.7742720      0.7918851     1.525154       0.7412347 
1 1 1 13 23 12 o 3.774731       0.5689929     4.982544       0.8531660     2.807161       0.7636157 
1 1 1 13 23 13 o 5.557899       0.5383587     4.685196       0.8375431     6.172345       0.7027740 
1 1 1 13 23 14 o 3.458741       0.5551164     3.514683       0.9238400     3.427129       0.6944686 
1 1 1 13 23 15 o 1.383935       0.5438409     1.034967       0.9082176     1.579007       0.6790386 
1 1 1 13 23 16 f -0.3415141     0.5380778     -1.334715      0.9352545     0.1498948      0.6578588 
1 1 1 13 24 0  o 5.224068       0.8543790     5.224068       0.6041372     ?              ?         
1 1 1 13 24 1  o 3.802966       0.5805385     3.711103       0.8181322     3.896130       0.8239091 
1 1 1 13 24 2  o 0.8008009      0.5954909     -0.4540764E-01 0.8454945     1.633757       0.8388476 
1 1 1 13 24 3  o 1.897090       0.6001337     2.493903       0.8262252     1.230556       0.8731521 
1 1 1 13 24 4  o 8.334659       0.6091965     8.950180       0.8844931     7.779143       0.8402747 
1 1 1 13 24 5  o 8.697540       0.6068313     7.752493       0.8977175     9.492711       0.8234609 
1 1 1 13 24 6  o 8.043221       0.5875579     8.947236       0.8708429     7.287824       0.7960498 
1 1 1 13 24 7  o 4.538008       0.5808691     4.169916       0.8681121     4.836410       0.7816241 
1 1 1 13 24 8  o 2.746236       0.5708773     3.421467       0.8403521     2.167578       0.7779402 
1 1 1 13 24 9  o 0.9206892      0.5715917     0.8747986      0.8404204     0.9601877      0.7796963 
1 1 1 13 24 10 o 2.648915       0.5791585     3.010882       0.8579304     2.345852       0.7850244 
1 1 1 13 24 11 o 4.390123       0.5830901     4.869170       0.8553333     3.974208       0.7969831 
1 1 1 13 24 12 o 2.370302       0.5262167     0.7745041      0.8358902     3.417895       0.6772614 
1 1 1 13 24 13 o 1.780710       0.5457791     1.501674       0.8784791     1.956120       0.6965103 
1 1 1 13 24 14 o 1.239025       0.5575922     1.680929       0.9173841     0.9801291      0.7021821 
1 1 1 13 25 0  o -0.9974915     0.8801308     -0.9974915     0.6223465     ?              ?         
1 1 1 13 25 1  o 2.758494       0.6241997     1.806387       0.8723102     3.757592       0.8935774 
1 1 1 13 25 2  o 6.015311       0.6383536     6.520956       0.8902584     5.480212       0.9158210 
1 1 1 13 25 3  o 5.379862       0.6035470     5.322558       0.8512553     5.437787       0.8558521 
1 1 1 13 25 4  o 1.464538       0.6263775     2.203956       0.8812349     0.7094902      0.8905007 
1 1 1 13 25 5  f 1.303578       0.6217415     1.618652       0.8680869     0.9717207      0.8909079 
1 1 1 13 25 6  o 3.411849       0.5925196     3.692741       0.8856595     3.184264       0.7972022 
1 1 1 13 25 7  o 3.896204       0.6013649     3.440374       0.8950135     4.271359       0.8119568 
1 1 1 13 25 8  o 4.823024       0.6008537     5.095356       0.8617025     4.565312       0.8382536 
1 1 1 13 25 9  o 4.978521       0.6229611     5.352221       0.9123497     4.652108       0.8526747 
1 1 1 13 25 10 o 2.088771       0.5938212     2.164696       0.8455830     2.014892       0.8341146 
1 1 1 13 25 11 o 0.6341111E-01  0.6065776     -0.5111511     0.8850188     0.5724195      0.8330028 
1 1 1 13 26 0  o 0.7678200      0.9166557     0.7678200      0.6481735     ?              ?         
1 1 1 13 26 1  o 1.581117       0.6394812     1.967846       0.9426035     1.251345       0.8704283 
1 1 1 13 26 2  o 0.5446661      0.6187161     0.9754490      0.8454145     0.4783012E-01  0.9079186 
1 1 1 13 26 3  o 3.502468       0.6512638     2.104770       0.9076877     4.985450       0.9349703 
1 1 1 13 26 4  o 5.392590       0.6576676     6.267167       0.9361519     4.540332       0.9241297 
1 1 1 13 26 5  o 3.614916       0.6237751     4.001067       0.8639017     3.194321       0.9016084 
1 1 1 13 26 6  o 0.5309969      0.6215152     0.2063693      0.8908893     0.8387943      0.8674881 
1 1 1 13 26 7  o 0.2988204      0.6038533     0.8184434      0.8851793     -0.1534905     0.8258585 
1 1 1 13 26 8  o 0.2818755      0.6113310     -0.4970266E-01 0.8707738     0.6041443      0.8584630 
1 1 1 14 0  0  o 148.9429       3.209258      148.9429       2.269288      ?              ?         
1 1 1 14 0  1  o 99.50121       1.616480      99.50121       1.143024      ?              ?         
1 1 1 14 0  2  o 154.5011       2.354183      154.5011       1.664659      ?              ?         
1 1 1 14 0  3  o 106.4200       1.699773      106.4200       1.201921      ?              ?         
1 1 1 14 0  4  o 10.15817       0.5099220     10.15817       0.3605693     ?              ?         
1 1 1 14 0  5  o 20.33620       0.6191407     20.33620       0.4377986     ?              ?         
1 1 1 14 0  6  o 232.0045       3.153207      232.0045       2.229654      ?              ?         
1 1 1 14 0  7  o 167.9539       2.372252      167.9539       1.677435      ?              ?         
1 1 1 14 0  8  o 216.6793       2.933410      216.6793       2.074234      ?              ?         
1 1 1 14 0  9  o 76.14679       1.225451      76.14679       0.8665247     ?              ?         
1 1 1 14 0  10 o 0.6810507      0.3495498     0.6810507      0.2471690     ?              ?         
1 1 1 14 0  11 o 30.85890       0.6571288     30.85890       0.4646602     ?              ?         
1 1 1 14 0  12 o 29.16670       0.6949894     29.16670       0.4914317     ?              ?         
1 1 1 14 0  13 o 18.19682       0.5467122     18.19682       0.3865839     ?              ?         
1 1 1 14 0  14 o 0.7348951      0.3633486     0.7348951      0.2569262     ?              ?         
1 1 1 14 0  15 o 0.6922189      0.3511783     0.6922189      0.2483205     ?              ?         
1 1 1 14 0  16 o 1.071144       0.3419847     1.071144       0.2418197     ?              ?         
1 1 1 14 0  17 o 1.072008       0.3367111     1.072008       0.2380907     ?              ?         
1 1 1 14 0  18 o 4.679174       0.3202388     4.679174       0.2264431     ?              ?         
1 1 1 14 0  19 o 1.543199       0.2982734     1.543199       0.2109112     ?              ?         
1 1 1 14 0  20 o 2.132657       0.2997020     2.132657       0.2119213     ?              ?         
1 1 1 14 0  21 o -0.6221670E-02 0.2981230     -0.6221670E-02 0.2108048     ?              ?         
1 1 1 14 0  22 o 0.7807615      0.3211021     0.7807615      0.2270535     ?              ?         
1 1 1 14 0  23 o 1.024970       0.3268643     1.024970       0.2311280     ?              ?         
1 1 1 14 0  24 o 3.190058       0.4152064     3.190058       0.2935953     ?              ?         
1 1 1 14 0  25 o 3.630738       0.4392859     3.630738       0.3106220     ?              ?         
1 1 1 14 0  26 o 1.034028       0.4527638     1.034028       0.3201523     ?              ?         
1 1 1 14 0  27 f 0.1623921      0.4694838     0.1623921      0.3319752     ?              ?         
1 1 1 14 0  28 o 1.202354       0.5088099     1.202354       0.3597829     ?              ?         
1 1 1 14 0  29 o 5.455040       0.5739852     5.455040       0.4058688     ?              ?         
1 1 1 14 0  30 o 0.8457766      0.5664297     0.8457766      0.4005263     ?              ?         
1 1 1 14 0  31 o 1.288291       0.5991596     1.288291       0.4236698     ?              ?         
1 1 1 14 1  0  o 104.6611       1.688813      104.6611       1.194171      ?              ?         
1 1 1 14 1  1  o 81.01174       0.9728981     82.24377       1.381398      79.79919       1.370439  
1 1 1 14 1  2  o 19.55342       0.4348393     19.40929       0.6182730     19.69449       0.6116911 
1 1 1 14 1  3  o 11.12259       0.3668701     10.78010       0.5205263     11.46066       0.5171555 
1 1 1 14 1  4  o 0.7142427      0.2985345     0.5735244      0.4036882     0.8840829      0.4434972 
1 1 1 14 1  5  o 23.03038       0.4360067     22.85186       0.5931244     23.24027       0.6431185 
1 1 1 14 1  6  o 8.507030       0.3354304     8.362370       0.4591682     8.672567       0.4911897 
1 1 1 14 1  7  o 8.846704       0.3222371     9.090807       0.4591869     8.609851       0.4523151 
1 1 1 14 1  8  f 31.02331       0.4784594     31.30612       0.6853529     30.75442       0.6682585 
1 1 1 14 1  9  o 41.01776       0.5578747     42.79119       0.8008772     39.34614       0.7775480 
1 1 1 14 1  10 o 22.56700       0.4019418     23.94246       0.5773624     21.27346       0.5599028 
1 1 1 14 1  11 o 9.656276       0.2875693     10.00096       0.4147276     9.337089       0.3990918 
1 1 1 14 1  12 f 43.05899       0.6161044     43.13548       0.8746894     42.98368       0.8679560 
1 1 1 14 1  13 o 32.56274       0.5138746     32.83662       0.7306101     32.29461       0.7229078 
1 1 1 14 1  14 o 25.95774       0.4557571     25.56940       0.6461586     26.34220       0.6429293 
1 1 1 14 1  15 f 7.352843       0.2802430     6.240660       0.3811903     8.661017       0.4134151 
1 1 1 14 1  16 o 4.115035       0.2382629     4.280430       0.3166955     3.899319       0.3616762 
1 1 1 14 1  17 o 9.182878       0.2679310     9.086552       0.3601383     9.302283       0.4009646 
1 1 1 14 1  18 o 1.970302       0.3475880     2.058702       0.6375374     1.932910       0.4146327 
1 1 1 14 1  19 o 3.209864       0.3551977     3.340972       0.6421930     3.152077       0.4263493 
1 1 1 14 1  20 o -0.1043919     0.1710302     -0.1657350     0.2041418     0.4005282E-01  0.3132561 
1 1 1 14 1  21 o 2.407244       0.1944495     2.678651       0.2322636     1.771263       0.3555434 
1 1 1 14 1  22 f 0.9126072E-01  0.1912504     -0.1161258E-01 0.2279174     0.3360795      0.3515996 
1 1 1 14 1  23 o 0.3468869      0.2068888     0.6125271      0.2655439     -0.6343214E-01 0.3300276 
1 1 1 14 1  24 o 0.6495526      0.2378706     0.3890571      0.2938881     1.144368       0.4050454 
1 1 1 14 1  25 o 0.6937437      0.2913026     0.5237742      0.3939202     0.8988627      0.4327386 
1 1 1 14 1  26 o 0.3763348      0.3154755     -0.7667347E-01 0.4245259     0.9350334      0.4714547 
1 1 1 14 1  27 o -0.5500095E-01 0.3239177     -0.3224033     0.4337516     0.2821459      0.4870437 
1 1 1 14 1  28 o 0.5314220      0.3487337     0.3247347      0.4751459     0.7727730      0.5134459 
1 1 1 14 1  29 o 0.6245171      0.3669998     0.6838863      0.4966045     0.5530744      0.5447644 
1 1 1 14 1  30 o 0.7732197      0.3997169     1.174944       0.5587140     0.3520245      0.5720936 
1 1 1 14 1  31 o 0.1648806E-02  0.4115049     0.5465990      0.5763541     -0.5650142     0.5877241 
1 1 1 14 2  0  o 40.24279       0.8531273     40.24279       0.6032521     ?              ?         
1 1 1 14 2  1  o 138.1092       1.510951      135.6608       2.128873      140.5944       2.144832  
1 1 1 14 2  2  o 248.8137       2.522592      245.1729       3.544812      252.5492       3.590597  
1 1 1 14 2  3  o 75.16808       0.8926496     75.29814       1.226329      75.02151       1.301847  
1 1 1 14 2  4  o 20.42458       0.4192074     21.09129       0.5849066     19.72038       0.6011236 
1 1 1 14 2  5  o 12.74177       0.3692483     13.83596       0.5153020     11.58700       0.5293743 
1 1 1 14 2  6  f 2.482722       0.3055774     2.455590       0.4215369     2.512769       0.4436109 
1 1 1 14 2  7  o 82.75946       0.9655174     83.31747       1.329645      82.13702       1.404308  
1 1 1 14 2  8  o 72.09183       0.8615479     72.97421       1.188747      71.11551       1.250417  
1 1 1 14 2  9  o 1.054322       0.2581587     0.7711389      0.3843389     1.287119       0.3484735 
1 1 1 14 2  10 o 37.31654       0.5255086     38.26541       0.7551160     36.42538       0.7317953 
1 1 1 14 2  11 o 36.57951       0.5355067     37.42721       0.8094192     35.91963       0.7141401 
1 1 1 14 2  12 o 55.29733       0.7314451     56.56173       1.048417      54.09828       1.020968  
1 1 1 14 2  13 f 9.650599       0.3115994     9.304307       0.4267182     10.04619       0.4560820 
1 1 1 14 2  14 o 12.37532       0.4583799     12.10461       0.7431570     12.54156       0.5823513 
1 1 1 14 2  15 o 2.907514       0.3932244     2.305512       0.6832688     3.205642       0.4808329 
1 1 1 14 2  16 o -0.1492853     0.3866901     -0.5673860     0.6858383     0.4556986E-01  0.4682063 
1 1 1 14 2  17 o 1.212970       0.3808784     2.028563       0.6802865     0.8405777      0.4596794 
1 1 1 14 2  18 o 9.250458       0.4391516     9.659251       0.7363434     9.024787       0.5470992 
1 1 1 14 2  19 o 11.00695       0.4419014     10.36226       0.7441646     11.35812       0.5492212 
1 1 1 14 2  20 o 3.487846       0.3996543     3.371001       0.6752399     3.550848       0.4958286 
1 1 1 14 2  21 o 10.84630       0.4504525     11.00793       0.7466552     10.75381       0.5648173 
1 1 1 14 2  22 o 3.281477       0.4014229     2.528485       0.6894615     3.667635       0.4937391 
1 1 1 14 2  23 o 4.606278       0.4669503     4.892015       0.6982828     4.375147       0.6280254 
1 1 1 14 2  24 f 5.396479       0.2639768     5.849877       0.3271031     4.549727       0.4470153 
1 1 1 14 2  25 o 1.344399       0.2291156     1.311483       0.2493318     1.523042       0.5808526 
1 1 1 14 2  26 o 1.596778       0.2776933     1.328455       0.3549649     2.020030       0.4458165 
1 1 1 14 2  27 o 0.7794787      0.3010432     0.9910362      0.3856495     0.4494735      0.4816583 
1 1 1 14 2  28 f 1.369151       0.3527739     1.665074       0.4370334     0.8157616      0.5976422 
1 1 1 14 2  29 f 0.9883213      0.3513850     0.6865736      0.4593865     1.413804       0.5455033 
1 1 1 14 2  30 o 0.8292423E-01  0.3795311     0.2145307      0.4989728     -0.9774021E-01 0.5846212 
1 1 1 14 2  31 o 0.3344434      0.3982200     0.6858310      0.5259854     -0.1374574     0.6095451 
1 1 1 14 3  0  o 484.4418       6.333541      484.4418       4.478490      ?              ?         
1 1 1 14 3  1  o 285.2124       2.744750      286.1539       3.789795      284.1738       3.980552  
1 1 1 14 3  2  o 112.6247       1.235571      114.2167       1.706041      110.8685       1.791836  
1 1 1 14 3  3  o 4.427538       0.3357235     4.351174       0.4625016     4.512590       0.4881017 
1 1 1 14 3  4  o 7.098413       0.3452880     6.280759       0.4708882     8.049365       0.5078229 
1 1 1 14 3  5  o 45.49858       0.6347927     44.68890       0.8675847     46.43148       0.9312586 
1 1 1 14 3  6  o 49.43647       0.6714616     48.96541       0.9185771     49.97698       0.9839725 
1 1 1 14 3  7  o 33.65880       0.5314816     33.64738       0.7287495     33.67178       0.7768070 
1 1 1 14 3  8  o 61.05324       0.7696250     62.98287       1.066523      58.95664       1.111711  
1 1 1 14 3  9  o 107.9496       1.191080      109.0202       1.645909      106.7727       1.725815  
1 1 1 14 3  10 o 78.82453       0.8962027     79.97514       1.281946      77.72463       1.253381  
1 1 1 14 3  11 o 51.61453       0.6517876     52.57033       1.009385      50.93098       0.8536082 
1 1 1 14 3  12 o 78.45641       0.9470090     77.46184       1.342045      79.44281       1.336518  
1 1 1 14 3  13 o 22.09740       0.5634205     23.47838       0.9069864     21.22963       0.7189680 
1 1 1 14 3  14 o 14.71590       0.5079609     13.67401       0.8093891     15.39291       0.6524467 
1 1 1 14 3  15 o 20.58446       0.5564126     20.44361       0.8964887     20.67271       0.7096360 
1 1 1 14 3  16 o 23.23098       0.6568138     24.18919       1.089499      22.68390       0.8232318 
1 1 1 14 3  17 f 12.62716       0.4862064     12.95343       0.7927944     12.43046       0.6155569 
1 1 1 14 3  18 o 3.218347       0.4285025     2.101786       0.7319266     3.800611       0.5285507 
1 1 1 14 3  19 o 13.26702       0.4967601     13.36509       0.7884092     13.20246       0.6397170 
1 1 1 14 3  20 o 10.32983       0.4768801     10.75273       0.7721634     10.06908       0.6063315 
1 1 1 14 3  21 o 3.713605       0.4285042     3.434744       0.7186645     3.867432       0.5337632 
1 1 1 14 3  22 o 0.8729129      0.4182218     1.511477       0.7200331     0.5477939      0.5137733 
1 1 1 14 3  23 o 1.864442       0.4972472     1.708802       0.7290081     1.999851       0.6799769 
1 1 1 14 3  24 o 1.688019       0.5012638     1.272536       0.7425544     2.035866       0.6794319 
1 1 1 14 3  25 o 0.9318096      0.5152701     1.962153       0.7702624     0.9727991E-01  0.6932160 
1 1 1 14 3  26 f 0.5948407      0.2186116     0.7488737      0.2596813     0.2200881      0.4050477 
1 1 1 14 3  27 o 0.5114609      0.2342302     0.5244564      0.2647575     0.4646551      0.5024605 
1 1 1 14 3  28 o -0.1204651     0.2937140     -0.2982468     0.3649103     0.2066052      0.4949521 
1 1 1 14 3  29 o 0.1524650      0.3241912     -0.7516386E-01 0.4081242     0.5416883      0.5336764 
1 1 1 14 3  30 o 0.2678017      0.3529769     0.1218520      0.4456605     0.5134668      0.5781950 
1 1 1 14 3  31 o 0.9645156E-01  0.3749836     0.3897907      0.4813192     -0.3565386     0.5981258 
1 1 1 14 4  0  o 46.32804       0.8941658     46.32804       0.6322707     ?              ?         
1 1 1 14 4  1  o 43.67472       0.6089057     41.22173       0.8575857     46.16859       0.8647038 
1 1 1 14 4  2  o 141.8017       1.516754      139.6099       2.074331      144.3199       2.223454  
1 1 1 14 4  3  o 208.1827       2.113079      207.5571       2.925540      208.8651       3.055377  
1 1 1 14 4  4  o 269.6166       2.634102      270.8688       3.617692      268.2037       3.842863  
1 1 1 14 4  5  f 352.3088       3.294983      355.3454       4.589508      349.0788       4.733446  
1 1 1 14 4  6  o 381.5718       3.546557      385.7432       4.959042      377.2045       5.074117  
1 1 1 14 4  7  o 149.5016       1.574745      150.9840       2.173872      147.8647       2.284280  
1 1 1 14 4  8  o 52.46115       0.6999358     53.14152       0.9671020     51.71275       1.014301  
1 1 1 14 4  9  o 5.400283       0.3002547     5.674815       0.4437327     5.168426       0.4077893 
1 1 1 14 4  10 o 111.1498       1.186646      113.9545       1.698791      108.4773       1.658284  
1 1 1 14 4  11 o 62.60956       0.7556244     64.84953       1.176820      61.03825       0.9856451 
1 1 1 14 4  12 o 72.56716       0.8956398     72.63508       1.288131      72.50360       1.246163  
1 1 1 14 4  13 o 18.04539       0.5457376     17.29129       0.8699014     18.53481       0.7008021 
1 1 1 14 4  14 o 4.532895       0.4513934     4.293679       0.7783290     4.654131       0.5540945 
1 1 1 14 4  15 o 2.028047       0.4392638     2.331012       0.7494730     1.869519       0.5421396 
1 1 1 14 4  16 o 13.25099       0.5174040     12.36309       0.8568478     13.76054       0.6491070 
1 1 1 14 4  17 o 1.138840       0.4391699     1.318728       0.7634008     1.049858       0.5369115 
1 1 1 14 4  18 o 2.789605       0.4414156     3.456624       0.7377573     2.417674       0.5509042 
1 1 1 14 4  19 f 1.391998       0.4391849     2.313621       0.7479160     0.9069551      0.5425830 
1 1 1 14 4  20 o 2.679950       0.4550238     3.032535       0.7565265     2.480103       0.5695632 
1 1 1 14 4  21 f 3.542104       0.4532865     2.753297       0.7352613     4.025708       0.5757063 
1 1 1 14 4  22 o 9.555939       0.5610066     10.25370       0.8314368     8.972750       0.7601177 
1 1 1 14 4  23 o 2.448582       0.6004804     1.352221       1.100119      2.913841       0.7166541 
1 1 1 14 4  24 o -0.6900419     0.5316194     -0.7321182     0.7788418     -0.6533368     0.7274348 
1 1 1 14 4  25 f 1.337797       0.5480527     1.420047       0.8133493     1.269397       0.7417206 
1 1 1 14 4  26 o 0.2656904      0.5577826     -0.7440686E-01 0.8271875     0.5492780      0.7553461 
1 1 1 14 4  27 o 0.5572185E-01  0.5705950     0.4337023E-01  0.8529866     0.6572519E-01  0.7676319 
1 1 1 14 4  28 o 0.6734197      0.2363539     0.6618521      0.2649891     0.7184320      0.5227253 
1 1 1 14 4  29 o 0.3861389      0.2664079     0.3999692      0.3138939     0.3505178      0.5037562 
1 1 1 14 4  30 o 0.3447986      0.3002237     0.2259782      0.3565745     0.6341655      0.5564539 
1 1 1 14 4  31 o 0.8608367      0.3261289     0.8492436      0.3937174     0.8861799      0.5821266 
1 1 1 14 5  0  o 103.2976       1.605731      103.2976       1.135423      ?              ?         
1 1 1 14 5  1  o 50.62118       0.6721589     51.51071       0.9526373     49.73930       0.9485285 
1 1 1 14 5  2  o 64.98876       0.7942510     64.98680       1.115860      64.99078       1.130770  
1 1 1 14 5  3  o 91.09113       1.056854      92.24850       1.458362      89.81105       1.533719  
1 1 1 14 5  4  o 62.06850       0.7922273     63.08745       1.092146      60.93692       1.150921  
1 1 1 14 5  5  o 88.53925       1.036803      90.69007       1.434110      86.18412       1.500676  
1 1 1 14 5  6  o 7.427887       0.3632502     8.053213       0.4993736     6.725195       0.5293639 
1 1 1 14 5  7  o 6.554899       0.3384439     7.345161       0.4962697     5.867785       0.4627502 
1 1 1 14 5  8  o 11.93392       0.3675835     12.38811       0.5232474     11.49137       0.5165015 
1 1 1 14 5  9  o 3.021533       0.3089292     3.211872       0.4550439     2.858802       0.4207520 
1 1 1 14 5  10 f 9.178575       0.3437781     9.789504       0.5381992     8.757513       0.4468078 
1 1 1 14 5  11 o 16.70129       0.3860577     16.88384       0.5832050     16.55890       0.5150594 
1 1 1 14 5  12 f 9.895110       0.3356508     10.72400       0.4617402     8.966313       0.4887767 
1 1 1 14 5  13 o 4.251379       0.4791153     3.775542       0.7782923     4.541736       0.6079680 
1 1 1 14 5  14 o 9.098268       0.5106224     8.677987       0.8510163     9.334694       0.6382869 
1 1 1 14 5  15 o 14.22284       0.5423498     14.72913       0.8926849     13.92662       0.6828176 
1 1 1 14 5  16 o 5.599750       0.4875951     4.901124       0.8247357     5.975163       0.6045704 
1 1 1 14 5  17 o 3.698097       0.4694056     4.407355       0.7958696     3.319759       0.5812728 
1 1 1 14 5  18 f 0.2510169      0.4582917     0.4588465E-01  0.7655221     0.3656047      0.5721501 
1 1 1 14 5  19 o 4.912830       0.4925323     5.496807       0.8033620     4.561129       0.6234476 
1 1 1 14 5  20 o 14.57504       0.5467117     14.28491       0.8708491     14.76376       0.7023699 
1 1 1 14 5  21 f 6.797546       0.4932904     5.985671       0.8019003     7.291800       0.6256786 
1 1 1 14 5  22 o -0.1956477     0.5369843     -1.588897      0.7768678     1.079044       0.7430794 
1 1 1 14 5  23 o 0.6445867E-02  0.5526513     0.4130005      0.8096244     -0.3482603     0.7562380 
1 1 1 14 5  24 o 0.9987193      0.5738419     1.011028       0.8301497     0.9874558      0.7941187 
1 1 1 14 5  25 o 2.714148       0.5956685     -0.2319900     0.8749487     5.259352       0.8132374 
1 1 1 14 5  26 o 0.8840534      0.6101066     -0.2524169     0.8969276     1.862722       0.8323311 
1 1 1 14 5  27 o 1.005636       0.6289030     1.642908       0.9327430     0.4744273      0.8515927 
1 1 1 14 5  28 f 2.269807       0.6294570     2.186742       0.9573662     2.333059       0.8354165 
1 1 1 14 5  29 o 0.8954903      0.2482596     0.7481062      0.2765854     1.506503       0.5631567 
1 1 1 14 5  30 o 0.2777891      0.2780512     0.4633124      0.3285602     -0.1903429     0.5219152 
1 1 1 14 5  31 o 0.4614489      0.3071790     0.1962580      0.3655486     1.098707       0.5666613 
1 1 1 14 6  0  o 39.48824       0.8329890     39.48824       0.5890122     ?              ?         
1 1 1 14 6  1  o 107.9931       1.182606      106.9967       1.665912      109.0053       1.679081  
1 1 1 14 6  2  o 136.6780       1.442859      136.7410       2.044043      136.6155       2.036999  
1 1 1 14 6  3  o 96.53508       1.078765      97.81084       1.524324      95.25504       1.526888  
1 1 1 14 6  4  o 58.00132       0.7444576     59.43594       1.057135      56.58987       1.048561  
1 1 1 14 6  5  f 49.45489       0.6903691     50.55872       0.9502683     48.22109       1.004660  
1 1 1 14 6  6  o 18.59138       0.4255871     18.24854       0.6097965     18.91697       0.5942467 
1 1 1 14 6  7  o 51.83704       0.7034491     51.44827       0.9800117     52.25025       1.010336  
1 1 1 14 6  8  o 171.2862       1.748359      171.3729       2.490237      171.2019       2.455242  
1 1 1 14 6  9  o 80.16055       0.9394336     77.94241       1.326498      82.39253       1.330631  
1 1 1 14 6  10 o 59.64812       0.7814134     59.19795       1.160053      60.02205       1.057258  
1 1 1 14 6  11 f 14.03639       0.3802302     14.10287       0.5763442     13.98516       0.5059584 
1 1 1 14 6  12 o 29.62228       0.4979434     29.20004       0.7427919     29.96689       0.6710560 
1 1 1 14 6  13 o 15.37635       0.5684490     16.97442       0.9193397     14.38719       0.7232874 
1 1 1 14 6  14 o 3.986062       0.5031787     4.161202       0.8214119     3.880866       0.6366045 
1 1 1 14 6  15 f 0.7357314      0.4912374     0.3657741      0.8307088     0.9346691      0.6091604 
1 1 1 14 6  16 o 3.550137       0.5047650     4.693656       0.8436773     2.912604       0.6299495 
1 1 1 14 6  17 o 0.5584570      0.4882181     0.7839625      0.8234867     0.4362331      0.6062558 
1 1 1 14 6  18 o 1.391834       0.4884394     1.978321       0.8046488     1.049637       0.6146327 
1 1 1 14 6  19 o 3.247272       0.4950448     3.665012       0.8162143     3.004179       0.6226404 
1 1 1 14 6  20 o 1.884807       0.4870292     1.867665       0.8082623     1.894580       0.6102580 
1 1 1 14 6  21 o 3.078706       0.4795440     3.528184       0.7770125     2.802176       0.6094596 
1 1 1 14 6  22 o 0.7286062      0.5422214     0.9767825      0.7739584     0.4893831      0.7598693 
1 1 1 14 6  23 o 0.4345927      0.5595924     1.505983       0.8028836     -0.5775362     0.7803630 
1 1 1 14 6  24 o 0.8780943      0.5862167     0.3809639      0.8510410     1.326937       0.8086535 
1 1 1 14 6  25 o 0.2081618      0.6063372     0.2866136      0.8875581     0.1395082      0.8302848 
1 1 1 14 6  26 o 0.8025912E-01  0.6096527     1.210048       0.9167032     -0.8157172     0.8163539 
1 1 1 14 6  27 o 0.6219565      0.6389874     0.5555471      0.9746705     0.6720146      0.8462129 
1 1 1 14 6  28 o 0.9790723      0.6581581     1.105777       1.030079      0.8916602      0.8555766 
1 1 1 14 6  29 f 0.7069337      0.4411891     0.3875003      1.037272      0.7774864      0.4874826 
1 1 1 14 6  30 o 0.3850955      0.2786563     0.3986874      0.3168662     0.3387143      0.5853392 
1 1 1 14 6  31 o 0.6424344      0.3007034     0.8230157      0.3639088     0.2537233      0.5339121 
1 1 1 14 7  0  o 3.453995       0.5213411     3.453995       0.3686439     ?              ?         
1 1 1 14 7  1  o 8.213652       0.3918017     8.735046       0.5544104     7.693455       0.5537726 
1 1 1 14 7  2  o 19.46780       0.4595040     18.74629       0.6390848     20.23998       0.6611503 
1 1 1 14 7  3  o 42.67166       0.6314424     42.31024       0.8890844     43.03950       0.8969565 
1 1 1 14 7  4  o 6.649754       0.3679489     6.869701       0.5378920     6.456316       0.5044346 
1 1 1 14 7  5  o 12.65650       0.3947777     12.51369       0.5747828     12.78403       0.5431583 
1 1 1 14 7  6  o 29.33510       0.5113110     28.72519       0.7442427     29.88033       0.7036679 
1 1 1 14 7  7  o 19.92211       0.4472245     20.49871       0.6566196     19.42317       0.6108046 
1 1 1 14 7  8  o 83.10299       0.9755306     83.78970       1.394791      82.44538       1.364911  
1 1 1 14 7  9  o 99.32928       1.154861      99.60293       1.707306      99.09847       1.568010  
1 1 1 14 7  10 o 95.72279       1.123047      95.83493       1.662774      95.62871       1.522885  
1 1 1 14 7  11 o 30.11984       0.5358005     29.43295       0.8032433     30.67048       0.7191795 
1 1 1 14 7  12 o 9.681953       0.3472499     9.832560       0.5359067     9.572956       0.4559069 
1 1 1 14 7  13 o 3.684628       0.2863317     3.731257       0.3873979     3.628485       0.4250898 
1 1 1 14 7  14 o 13.03009       0.5800027     12.19438       0.9147977     13.59186       0.7500219 
1 1 1 14 7  15 o 3.049634       0.5016687     2.312322       0.8277261     3.477726       0.6307098 
1 1 1 14 7  16 o 9.512687       0.5344429     8.609385       0.8832316     10.03448       0.6712842 
1 1 1 14 7  17 o 1.440972       0.5071863     0.8854177      0.8308713     1.770934       0.6403281 
1 1 1 14 7  18 o 1.414662       0.5022529     1.142336       0.8066720     1.587066       0.6418391 
1 1 1 14 7  19 o 3.738366       0.5771880     3.908877       0.8846788     3.611995       0.7616104 
1 1 1 14 7  20 o 4.062412       0.5119251     3.734493       0.8265234     4.266502       0.6520525 
1 1 1 14 7  21 o 2.059227       0.5619214     2.414719       0.8016176     1.715787       0.7879134 
1 1 1 14 7  22 o 1.104359       0.5733379     1.642472       0.8215683     0.5935079      0.8004873 
1 1 1 14 7  23 o 2.034371       0.5995584     2.626390       0.8521512     1.454010       0.8437190 
1 1 1 14 7  24 o 1.728369       0.6039010     2.017881       0.8934489     1.484838       0.8194334 
1 1 1 14 7  25 o 2.278808       0.6373126     3.288794       0.9328544     1.394801       0.8727382 
1 1 1 14 7  26 o 3.502390       0.6381815     3.191405       0.9359888     3.772562       0.8724114 
1 1 1 14 7  27 f 1.368360       0.6661451     1.402889       0.9830747     1.339045       0.9058051 
1 1 1 14 7  28 o -0.4903160     0.6819510     -1.533677      1.030356      0.3230289      0.9097193 
1 1 1 14 7  29 o 0.2264314      0.6882781     1.079185       1.054373      -0.4067783     0.9085655 
1 1 1 14 7  30 o 0.3199967      0.3375362     0.4673586      0.4167642     0.3906382E-01  0.5754389 
1 1 1 14 8  0  o 164.9166       2.407898      164.9166       1.702641      ?              ?         
1 1 1 14 8  1  o 240.0400       2.369967      243.8080       3.372292      236.3629       3.331362  
1 1 1 14 8  2  o 125.6735       1.398479      129.1350       2.058223      122.7050       1.906031  
1 1 1 14 8  3  o 75.71035       0.8971609     78.44623       1.319039      73.35508       1.223856  
1 1 1 14 8  4  o 9.590195       0.4053710     9.879525       0.5921380     9.334993       0.5561182 
1 1 1 14 8  5  f 18.24191       0.4537172     18.20371       0.6670283     18.27481       0.6189696 
1 1 1 14 8  6  o 54.06886       0.7184063     53.62315       1.055619      54.45339       0.9804950 
1 1 1 14 8  7  o 158.6118       1.618260      156.3797       2.348950      160.6283       2.232610  
1 1 1 14 8  8  o 128.6808       1.358623      126.8019       1.970267      130.3842       1.875967  
1 1 1 14 8  9  o 72.19397       0.8967379     71.86457       1.365078      72.44402       1.189361  
1 1 1 14 8  10 o 20.81765       0.4921030     20.65668       0.7374007     20.94689       0.6607662 
1 1 1 14 8  11 o 12.46822       0.4195770     12.65623       0.6407050     12.32705       0.5551843 
1 1 1 14 8  12 f 10.18056       0.3865122     10.09647       0.5982989     10.24079       0.5063556 
1 1 1 14 8  13 o 0.7528067      0.2942926     0.6771123      0.4638654     0.8037992      0.3807267 
1 1 1 14 8  14 o 1.124603       0.2351898     1.233827       0.4111581     1.071483       0.2867326 
1 1 1 14 8  15 o 1.220487       0.5128845     0.8527998      0.8256672     1.451502       0.6544638 
1 1 1 14 8  16 o 2.756914       0.5271180     3.494038       0.8860011     2.353059       0.6558073 
1 1 1 14 8  17 o 2.411276       0.5246201     3.045492       0.8816707     2.063643       0.6527529 
1 1 1 14 8  18 f 0.3208829      0.5099289     -0.9392985E-01 0.8273709     0.5749674      0.6475351 
1 1 1 14 8  19 o 0.6490777      0.5005835     0.7056508      0.8114526     0.6143208      0.6360307 
1 1 1 14 8  20 o 1.669697       0.5079432     3.112900       0.8265168     0.7938212      0.6438862 
1 1 1 14 8  21 o -0.1634042     0.5724893     -1.049461      0.8312873     0.6359467      0.7895671 
1 1 1 14 8  22 o 1.231680       0.5700932     0.6817817      0.8545060     1.672775       0.7653145 
1 1 1 14 8  23 o 1.315427       0.6059908     2.042130       0.8618414     0.6048255      0.8522401 
1 1 1 14 8  24 o 2.907502       0.6420680     1.186128       0.9141214     4.583681       0.9020416 
1 1 1 14 8  25 o 5.001040       0.6474189     5.481335       0.9616083     4.602818       0.8756006 
1 1 1 14 8  26 o -0.1988028     0.6515476     -0.1905110     0.9771279     -0.2054409     0.8742815 
1 1 1 14 8  27 o -0.6967518E-01 0.6727281     -0.1175227     1.008899      -0.3137082E-01 0.9026976 
1 1 1 14 8  28 o 0.4130955      0.7002212     0.6351698      1.045378      0.2323750      0.9430357 
1 1 1 14 8  29 o 0.5263634      0.7141041     -0.5011770     1.074054      1.340455       0.9560124 
1 1 1 14 8  30 o 0.4612345      0.3484687     0.3133288      0.4369281     0.7197459      0.5776400 
1 1 1 14 9  0  o 5.759383       0.6019475     5.759383       0.4256411     ?              ?         
1 1 1 14 9  1  f 32.78209       0.5657199     31.03108       0.8245076     34.33971       0.7776450 
1 1 1 14 9  2  o 54.31708       0.7358895     52.89425       1.067981      55.60330       1.015417  
1 1 1 14 9  3  o 107.0663       1.179397      106.6272       1.715582      107.4598       1.624020  
1 1 1 14 9  4  o 101.5952       1.130329      103.6085       1.655418      99.83675       1.547124  
1 1 1 14 9  5  o 65.38235       0.8292403     66.68634       1.216360      64.25003       1.133468  
1 1 1 14 9  6  o 21.43641       0.4975505     21.90451       0.7445459     21.05870       0.6688160 
1 1 1 14 9  7  o 14.73021       0.4523708     14.65705       0.6615638     14.79445       0.6199589 
1 1 1 14 9  8  o 4.704623       0.4146821     4.633854       0.6415542     4.755408       0.5434724 
1 1 1 14 9  9  o 23.97789       0.5274516     24.24747       0.8151267     23.78372       0.6918098 
1 1 1 14 9  10 o 31.87187       0.5745637     31.97135       0.8867811     31.79989       0.7543098 
1 1 1 14 9  11 o 49.11848       0.7090342     50.19262       1.090588      48.33205       0.9331670 
1 1 1 14 9  12 o 18.17273       0.4643747     18.04198       0.7231400     18.26449       0.6057848 
1 1 1 14 9  13 o 8.865417       0.3825290     8.868986       0.5934040     8.862879       0.5003710 
1 1 1 14 9  14 o 18.96644       0.4112481     18.95616       0.6808558     18.97235       0.5160133 
1 1 1 14 9  15 o 3.569777       0.2556777     3.292388       0.4638641     3.690827       0.3064287 
1 1 1 14 9  16 f 3.968324       0.2678636     3.968306       0.3863931     3.968341       0.3716686 
1 1 1 14 9  17 o 4.595798       0.5567088     3.176520       0.8831739     5.531548       0.7171209 
1 1 1 14 9  18 o 6.631584       0.5602866     6.370636       0.9127214     6.789378       0.7097518 
1 1 1 14 9  19 o 5.826717       0.5304832     5.678815       0.8389121     5.925262       0.6847721 
1 1 1 14 9  20 o -0.5415681E-01 0.5102677     -0.3346007     0.8231642     0.1208564      0.6502777 
1 1 1 14 9  21 o 0.8389469      0.5848944     2.194794       0.8284600     -0.5084589     0.8258771 
1 1 1 14 9  22 o -0.7087172     0.6149471     -0.7351422     0.8658589     -0.6818223     0.8735249 
1 1 1 14 9  23 o -0.5116268     0.6395971     0.2299913      0.9151828     -1.219683      0.8942347 
1 1 1 14 9  24 o 0.2078577      0.6336440     0.6739385      0.9250607     -0.2041198     0.8697139 
1 1 1 14 9  25 f 0.5336670      0.6601755     0.9833104      0.9655100     0.1388693      0.9047112 
1 1 1 14 9  26 o 0.3898865      0.6827980     -0.1575665     1.000896      0.8664349      0.9338328 
1 1 1 14 9  27 o 1.213237       0.6945047     0.8771712      1.015809      1.508209       0.9516801 
1 1 1 14 9  28 f 1.119758       0.7287925     0.6379613      1.097328      1.500002       0.9748462 
1 1 1 14 9  29 o 0.2419080      0.3270360     0.4117516      0.4053169     -0.7494950E-01 0.5536076 
1 1 1 14 9  30 f -0.9452590E-01 0.3618876     -0.2551477     0.5017346     0.7964470E-01  0.5224675 
1 1 1 14 10 0  o 44.95944       0.9333621     44.95944       0.6599867     ?              ?         
1 1 1 14 10 1  o 64.85479       0.8359919     65.18592       1.222513      64.56393       1.145758  
1 1 1 14 10 2  o 24.14760       0.5331602     24.79469       0.7848024     23.59299       0.7265654 
1 1 1 14 10 3  o 28.89644       0.5667929     28.22791       0.8296174     29.48162       0.7761807 
1 1 1 14 10 4  o 42.33382       0.6536161     44.27190       0.9680995     40.71035       0.8860465 
1 1 1 14 10 5  o 19.31346       0.5063495     19.18186       0.7431903     19.42746       0.6917467 
1 1 1 14 10 6  o 21.31281       0.5156666     20.48808       0.7445580     22.07309       0.7148728 
1 1 1 14 10 7  o 40.24862       0.6504584     40.10090       0.9456626     40.38126       0.8961105 
1 1 1 14 10 8  o 9.707238       0.4598242     10.04690       0.7014900     9.451338       0.6088789 
1 1 1 14 10 9  o 7.210698       0.4448696     6.966015       0.6873692     7.387065       0.5835772 
1 1 1 14 10 10 f 4.867284       0.4217825     4.944539       0.6582267     4.813464       0.5493967 
1 1 1 14 10 11 o 13.09281       0.4533646     13.85089       0.7291504     12.61503       0.5788625 
1 1 1 14 10 12 o 13.84351       0.4391499     14.60952       0.7016152     13.35012       0.5630899 
1 1 1 14 10 13 o 6.342104       0.3863803     5.839432       0.6064727     6.685524       0.5012810 
1 1 1 14 10 14 o 0.9937099      0.3053274     1.341854       0.5607846     0.8470207      0.3640120 
1 1 1 14 10 15 o 3.993749       0.3037113     4.264985       0.5611681     3.881390       0.3611802 
1 1 1 14 10 16 o 6.594537       0.2999904     7.066319       0.5474859     6.392114       0.3586186 
1 1 1 14 10 17 o 0.9561558      0.2671952     1.269652       0.4588732     0.7953361      0.3286597 
1 1 1 14 10 18 o 0.5171492      0.2619635     0.7175834      0.4034922     0.3711032      0.3444246 
1 1 1 14 10 19 f 2.540613       0.3225966     2.462661       0.8528646     2.553628       0.3484882 
1 1 1 14 10 20 o 0.7948120      0.5333124     1.083343       0.8620132     0.6158836      0.6788243 
1 1 1 14 10 21 o 0.7452582      0.6058149     1.605872       0.8752431     -0.4628205E-01 0.8393846 
1 1 1 14 10 22 o 0.3670629      0.6321411     0.2860855      0.9053751     0.4440888      0.8830093 
1 1 1 14 10 23 o 2.199965       0.6484365     2.908772       0.9505336     1.582978       0.8868323 
1 1 1 14 10 24 o 1.327348       0.6688339     1.526062       0.9564596     1.137194       0.9356322 
1 1 1 14 10 25 o 1.963327       0.6769431     2.058158       0.9884148     1.879549       0.9290270 
1 1 1 14 10 26 f 1.624954       0.6984665     1.478848       1.017388      1.755209       0.9606164 
1 1 1 14 10 27 o 1.347799       0.3946556     1.983974       0.6386724     0.9548321      0.5019581 
1 1 1 14 10 28 o 0.2380157      0.3602430     0.2065379      0.4615654     0.2870748      0.5762232 
1 1 1 14 10 29 o 0.4154314      0.3499776     0.2748975      0.5005409     0.5498497      0.4895290 
1 1 1 14 11 0  o 62.99345       1.140084      62.99345       0.8061614     ?              ?         
1 1 1 14 11 1  o 34.36535       0.5986150     34.15179       0.8568133     34.56899       0.8366844 
1 1 1 14 11 2  o 26.26155       0.5583969     25.85676       0.8161820     26.61775       0.7656252 
1 1 1 14 11 3  o 42.62093       0.6806586     41.51622       0.9943533     43.59498       0.9337005 
1 1 1 14 11 4  o 88.75979       1.144074      87.00185       1.866852      89.81712       1.447810  
1 1 1 14 11 5  o 116.3413       1.292631      116.6362       1.890202      116.0821       1.771663  
1 1 1 14 11 6  o 88.38559       1.042596      89.68652       1.537516      87.27816       1.418565  
1 1 1 14 11 7  o 3.246682       0.4603763     3.117718       0.7370636     3.329181       0.5895172 
1 1 1 14 11 8  f 9.559323       0.4880454     9.040135       0.7551772     9.931689       0.6395461 
1 1 1 14 11 9  o 5.604095       0.4541650     5.425779       0.7072936     5.729199       0.5924354 
1 1 1 14 11 10 o 3.065054       0.4345827     4.266096       0.6873475     2.265182       0.5609285 
1 1 1 14 11 11 o 2.275224       0.4210084     1.814437       0.6775132     2.565078       0.5373490 
1 1 1 14 11 12 o 1.515483       0.4002835     1.040337       0.6439072     1.814752       0.5110240 
1 1 1 14 11 13 o 5.115062       0.4016488     5.442275       0.6477947     4.910714       0.5119271 
1 1 1 14 11 14 o 2.113382       0.3353059     1.828629       0.6156354     2.233478       0.3998099 
1 1 1 14 11 15 o 1.213809       0.3158518     0.5184624      0.5871971     1.496905       0.3746713 
1 1 1 14 11 16 o 3.303042       0.3108103     2.968059       0.5673546     3.446682       0.3715188 
1 1 1 14 11 17 o 1.980988       0.2919806     1.169980       0.5526532     2.295016       0.3438942 
1 1 1 14 11 18 o 7.228267       0.3508123     6.580681       0.5735414     7.615375       0.4434371 
1 1 1 14 11 19 o 9.252233       0.3609768     9.457149       0.5820956     9.124187       0.4601381 
1 1 1 14 11 20 o 4.363946       0.3135469     4.322444       0.5015808     4.390566       0.4017099 
1 1 1 14 11 21 o 3.201235       0.3135088     3.366404       0.4831541     3.081116       0.4120284 
1 1 1 14 11 22 o 1.353095       0.3340657     1.408635       0.4643855     1.293527       0.4809291 
1 1 1 14 11 23 o -0.6737219E-01 0.3332529     -0.2673832     0.4550809     0.1639112      0.4893661 
1 1 1 14 11 24 o 0.3630910      0.3496592     0.5969539      0.4657256     0.6096920E-01  0.5293469 
1 1 1 14 11 25 f 0.9949296      0.3705879     0.3314667      0.4884351     1.894997       0.5689001 
1 1 1 14 11 26 o 0.4495372      0.3341100     0.9971488      0.5076966     0.3120335E-01  0.4437408 
1 1 1 14 11 27 f 2.485070       0.3716565     2.423779       0.5604697     2.533173       0.4965242 
1 1 1 14 11 28 o 0.3558623      0.3840247     -0.1673665     0.5688263     0.7940693      0.5205633 
1 1 1 14 11 29 o -0.3538153     0.4593063     -0.5416528     0.7329549     -0.2323583     0.5893826 
1 1 1 14 12 0  o 6.210674       0.6620033     6.210674       0.4681070     ?              ?         
1 1 1 14 12 1  o 6.606123       0.4732920     6.670147       0.6805257     6.546144       0.6586807 
1 1 1 14 12 2  o 2.869157       0.4608333     3.068622       0.6500013     2.667573       0.6534457 
1 1 1 14 12 3  f 5.854278       0.4815345     5.140882       0.7101799     6.461366       0.6551314 
1 1 1 14 12 4  o 16.80317       0.5366790     16.87569       0.7993144     16.74364       0.7241914 
1 1 1 14 12 5  o 24.78028       0.8512212     24.73268       0.8526081     39.37767       14.93010  
1 1 1 14 12 6  o 26.38817       0.5761572     25.82462       0.8481207     26.87113       0.7851378 
1 1 1 14 12 7  o 9.865119       0.5060074     9.987529       0.7776091     9.775219       0.6663990 
1 1 1 14 12 8  o 16.19942       0.5228114     18.27221       0.8312717     14.84299       0.6724588 
1 1 1 14 12 9  o 7.666880       0.4818974     8.624968       0.7643041     7.034684       0.6208535 
1 1 1 14 12 10 o 5.194198       0.4456711     4.936281       0.7021179     5.368239       0.5767596 
1 1 1 14 12 11 o 0.5508611      0.4179912     0.2805663      0.6681610     0.7246598      0.5357788 
1 1 1 14 12 12 o 0.8480465      0.4136698     0.7994854      0.6697268     0.8780017      0.5260045 
1 1 1 14 12 13 o 0.7512731      0.4060125     0.4502483      0.6348780     0.9595762      0.5281253 
1 1 1 14 12 14 o 1.120211       0.3481315     0.1864063      0.6154208     1.559638       0.4221697 
1 1 1 14 12 15 o 3.037796       0.3470703     3.485631       0.6255888     2.838665       0.4171565 
1 1 1 14 12 16 o 5.845941       0.3565532     5.938042       0.6382093     5.804151       0.4299008 
1 1 1 14 12 17 o 2.488971       0.3228826     1.760131       0.5858506     2.806937       0.3869562 
1 1 1 14 12 18 o 2.239526       0.3170892     1.982466       0.5851257     2.346405       0.3772929 
1 1 1 14 12 19 o 0.9159309      0.3293516     0.8057042      0.5599131     0.9742470      0.4072598 
1 1 1 14 12 20 o 2.273340       0.3353073     2.375973       0.5578238     2.215279       0.4195671 
1 1 1 14 12 21 f 1.467498       0.3457181     1.358448       0.5562201     1.536148       0.4413188 
1 1 1 14 12 22 o 0.5170235      0.3651364     0.3577174      0.5657274     0.6307719      0.4780394 
1 1 1 14 12 23 o 0.8150713      0.3715341     0.7387504      0.5722978     0.8706695      0.4884621 
1 1 1 14 12 24 o 0.7976075E-01  0.3744322     0.4321547      0.5724414     -0.1837496     0.4950119 
1 1 1 14 12 25 o 1.807911       0.3871594     1.761826       0.5869185     1.843412       0.5151308 
1 1 1 14 12 26 o 0.9133099      0.4006254     0.2481054      0.6061468     1.429303       0.5338537 
1 1 1 14 12 27 o 0.6405879      0.4152604     1.319407       0.6240561     0.1011696      0.5563005 
1 1 1 14 12 28 o 0.3091773      0.4267503     -0.5774796E-01 0.6209885     0.6375275      0.5874399 
1 1 1 14 13 0  o 2.308084       0.6652993     2.308084       0.4704376     ?              ?         
1 1 1 14 13 1  o 6.203742       0.4945656     5.444699       0.7030752     6.947209       0.6958240 
1 1 1 14 13 2  o 63.30284       0.8484408     62.25684       1.193421      64.37178       1.206438  
1 1 1 14 13 3  o 100.2956       1.144057      97.60590       1.618074      102.9845       1.617807  
1 1 1 14 13 4  o 70.93782       0.9272678     70.03352       1.354469      71.73550       1.272111  
1 1 1 14 13 5  o 29.66040       0.6128830     29.02468       0.9052507     30.19841       0.8327731 
1 1 1 14 13 6  o 3.198871       0.4826760     3.465002       0.7459802     3.007217       0.6330513 
1 1 1 14 13 7  o 13.65982       0.5155936     14.06467       0.8144649     13.38908       0.6660432 
1 1 1 14 13 8  o 21.71206       0.5754329     22.88910       0.9127811     20.93575       0.7412922 
1 1 1 14 13 9  o 20.45041       0.5489693     21.11804       0.8558581     19.98372       0.7155630 
1 1 1 14 13 10 o 8.098664       0.4735800     8.404041       0.7488630     7.895141       0.6113524 
1 1 1 14 13 11 o 7.007122       0.4515464     7.172317       0.7315098     6.905428       0.5739436 
1 1 1 14 13 12 o 0.9913125      0.4134496     0.9625800      0.6472552     1.011117       0.5373700 
1 1 1 14 13 13 o 2.232835       0.4164317     1.831159       0.6677797     2.488442       0.5326995 
1 1 1 14 13 14 o 3.706650       0.3718149     3.691730       0.6486154     3.713952       0.4537733 
1 1 1 14 13 15 o 3.977369       0.3731462     4.100551       0.6580062     3.918977       0.4530351 
1 1 1 14 13 16 o 2.475723       0.3500120     2.245332       0.6190410     2.583987       0.4243546 
1 1 1 14 13 17 o 0.3919189      0.3324872     0.1479094      0.6276745     0.4870921      0.3920021 
1 1 1 14 13 18 o 2.193773       0.3382367     2.613982       0.6231979     2.018303       0.4027115 
1 1 1 14 13 19 o 4.530341       0.3471669     4.984864       0.6461001     4.345843       0.4116404 
1 1 1 14 13 20 o 6.414892       0.3835650     7.232330       0.6592293     5.996528       0.4716132 
1 1 1 14 13 21 o 1.894171       0.3781525     2.340424       0.6224077     1.633058       0.4761003 
1 1 1 14 13 22 o 0.6419421      0.3815385     1.159184       0.6296343     0.3418010      0.4796278 
1 1 1 14 13 23 o 1.087060       0.3982937     0.9933043      0.6151556     1.154734       0.5226318 
1 1 1 14 13 24 o 1.497004       0.4184977     0.8535831      0.6549133     1.941061       0.5440713 
1 1 1 14 13 25 o 1.577482       0.4238442     1.425935       0.6574088     1.685283       0.5544657 
1 1 1 14 13 26 o 1.331216       0.4346852     2.301794       0.6830077     0.6704595      0.5635484 
1 1 1 14 13 27 o 1.117802       0.4470550     1.677282       0.6836338     0.6997917      0.5909150 
1 1 1 14 14 0  o 23.94362       0.8342606     23.94362       0.5899113     ?              ?         
1 1 1 14 14 1  o 32.81488       0.6376510     31.79237       0.9082261     33.80884       0.8954587 
1 1 1 14 14 2  o 16.49212       0.5254855     16.19214       0.7402254     16.79688       0.7461069 
1 1 1 14 14 3  f 4.221921       0.4644178     3.791989       0.6565910     4.652364       0.6569811 
1 1 1 14 14 4  o 29.35824       0.5942259     29.02253       0.8479134     29.68225       0.8330096 
1 1 1 14 14 5  o 23.22445       0.5934695     21.74475       0.9113134     24.31408       0.7820280 
1 1 1 14 14 6  o 16.66222       0.5501434     16.35983       0.8547167     16.87610       0.7188455 
1 1 1 14 14 7  o 0.1657516      0.4715044     -0.3893413     0.7413405     0.5428302      0.6110135 
1 1 1 14 14 8  o 0.9478211      0.4837105     1.039562       0.7617418     0.8858326      0.6261566 
1 1 1 14 14 9  o 9.739679       0.5012090     9.387057       0.7664213     10.00317       0.6625113 
1 1 1 14 14 10 o 5.947815       0.4677525     6.720144       0.7333904     5.418213       0.6073081 
1 1 1 14 14 11 o 11.07125       0.4789823     11.77722       0.7500524     10.58508       0.6224266 
1 1 1 14 14 12 f 7.358744       0.4607106     7.932832       0.7403665     6.995967       0.5885421 
1 1 1 14 14 13 o 14.45018       0.5467070     16.49128       0.7750275     12.42862       0.7713069 
1 1 1 14 14 14 o 10.56507       0.4239984     10.56389       0.7232656     10.56569       0.5233604 
1 1 1 14 14 15 o 15.27645       0.4472607     14.70316       0.7408244     15.60525       0.5610495 
1 1 1 14 14 16 o 8.588952       0.4556828     8.566735       0.7697730     8.600938       0.5653916 
1 1 1 14 14 17 o 1.257102       0.3648253     0.9947187      0.6666605     1.369271       0.4358862 
1 1 1 14 14 18 o 2.164637       0.3629058     2.762956       0.6632357     1.908946       0.4335697 
1 1 1 14 14 19 o 2.925246       0.3674298     3.028545       0.6644978     2.879755       0.4409764 
1 1 1 14 14 20 f 3.979216       0.3645901     3.756025       0.6570523     4.078509       0.4382486 
1 1 1 14 14 21 o 2.687113       0.4178355     2.101689       0.6686140     3.062243       0.5352182 
1 1 1 14 14 22 o 0.9669086      0.4019251     0.7864321      0.6420032     1.083237       0.5154312 
1 1 1 14 14 23 o 0.5017258      0.4225191     0.8013543E-01  0.6815202     0.7649327      0.5384954 
1 1 1 14 14 24 o 0.3794024E-02  0.4332592     0.4253433      0.6858408     -0.2761514     0.5589023 
1 1 1 14 14 25 o 0.2003120      0.4538830     0.3304154      0.7068092     0.1090132      0.5920941 
1 1 1 14 14 26 o 0.6242397      0.4629987     0.5146343      0.7207703     0.7012395      0.6041234 
1 1 1 14 14 27 o 1.680012       0.6335945     0.5868442      0.9420533     2.582939       0.8561673 
1 1 1 14 15 0  o 11.82452       0.7041348     11.82452       0.4978985     ?              ?         
1 1 1 14 15 1  o 9.217497       0.5036194     9.103700       0.7158648     9.329008       0.7086411 
1 1 1 14 15 2  o 16.38197       0.5398096     15.32017       0.7521313     17.50992       0.7752035 
1 1 1 14 15 3  o 8.294540       0.4865685     8.321798       0.6928691     8.268018       0.6834512 
1 1 1 14 15 4  o 20.82413       0.5462478     20.29166       0.7820662     21.33135       0.7632978 
1 1 1 14 15 5  o 32.74774       0.6377057     32.22079       0.9548907     33.17197       0.8567711 
1 1 1 14 15 6  o 24.88010       0.6057438     24.73250       0.9446491     24.98317       0.7894042 
1 1 1 14 15 7  o 12.24279       0.5335199     12.73729       0.8599986     11.93341       0.6802438 
1 1 1 14 15 8  o 0.9650900      0.4735516     1.165641       0.7522832     0.8334642      0.6094521 
1 1 1 14 15 9  o 1.660232       0.4559610     2.007693       0.7248463     1.432713       0.5865440 
1 1 1 14 15 10 f 2.045001       0.4507238     2.137312       0.7250045     1.986848       0.5754400 
1 1 1 14 15 11 f 4.938860       0.4580980     4.412995       0.7243071     5.289452       0.5914070 
1 1 1 14 15 12 o 2.728809       0.4533740     3.296320       0.7183837     2.353155       0.5844713 
1 1 1 14 15 13 o 0.9040500      0.4389889     0.4914904      0.6909071     1.183366       0.5684918 
1 1 1 14 15 14 o 1.068139       0.3966304     1.088719       0.6855068     1.057783       0.4862958 
1 1 1 14 15 15 o 1.423051       0.3938669     1.386101       0.6815394     1.441579       0.4826196 
1 1 1 14 15 16 o 0.2333724      0.3741499     0.5016316      0.6562769     0.1041956      0.4554094 
1 1 1 14 15 17 o 1.569988       0.3772115     1.338402       0.6816415     1.672213       0.4528760 
1 1 1 14 15 18 o 0.5618552      0.3721575     1.187053       0.6918783     0.3073223      0.4414616 
1 1 1 14 15 19 o 0.9502220      0.3731781     0.9917796      0.6716018     0.9316601      0.4488476 
1 1 1 14 15 20 o 0.3432650E-01  0.3714710     0.7489942      0.7006680     -0.2450867     0.4381105 
1 1 1 14 15 21 o 0.5063571      0.4332553     0.5113850      0.7001365     0.5032370      0.5515407 
1 1 1 14 15 22 o 0.7898328E-01  0.4379429     0.3569386      0.7013940     -0.9862278E-01 0.5606650 
1 1 1 14 15 23 o -0.7269998     0.4460329     -0.6894685E-01 0.7194234     -1.137880      0.5684754 
1 1 1 14 15 24 o 0.6148946      0.4684837     0.9400427      0.7512558     0.4079915      0.5992811 
1 1 1 14 15 25 o 0.7589127      0.4709954     1.124405       0.7653294     0.5361006      0.5975559 
1 1 1 14 15 26 o 0.4046383      0.4797116     -0.7786996     0.7588229     1.192379       0.6191243 
1 1 1 14 16 0  o 7.521727       0.6976789     7.521727       0.4933335     ?              ?         
1 1 1 14 16 1  o 4.883271       0.4782085     5.445581       0.7066790     4.408260       0.6495099 
1 1 1 14 16 2  o 9.571408       0.4892271     9.368546       0.7147385     9.750238       0.6710677 
1 1 1 14 16 3  o 4.590994       0.4671574     4.642282       0.6786159     4.544797       0.6440584 
1 1 1 14 16 4  o 11.68343       0.5195566     11.34903       0.7654298     11.96914       0.7075114 
1 1 1 14 16 5  o 10.59769       0.5142635     10.69296       0.7573340     10.51618       0.7005388 
1 1 1 14 16 6  o 7.757429       0.5000717     7.748375       0.7363819     7.765177       0.6812480 
1 1 1 14 16 7  o 2.814865       0.4870686     3.893046       0.7567419     2.052294       0.6364170 
1 1 1 14 16 8  f 2.853957       0.4755207     3.163977       0.7286852     2.624012       0.6275634 
1 1 1 14 16 9  o 17.81703       0.5409810     18.11359       0.8428268     17.60925       0.7054884 
1 1 1 14 16 10 f 11.18457       0.4929179     10.82705       0.7775127     11.42482       0.6373723 
1 1 1 14 16 11 o 9.782629       0.4867777     10.61237       0.7778010     9.248394       0.6241117 
1 1 1 14 16 12 f 2.707533       0.4544414     2.549765       0.7081926     2.817973       0.5925210 
1 1 1 14 16 13 f 3.091624       0.4456590     3.011655       0.6965009     3.147062       0.5799103 
1 1 1 14 16 14 f 2.730555       0.4174650     2.535433       0.6902062     2.843115       0.5242256 
1 1 1 14 16 15 o 1.669667       0.4082917     1.483928       0.7169330     1.758823       0.4967096 
1 1 1 14 16 16 o 0.1004427      0.3841649     0.3207983      0.6654437     -0.9709979E-02 0.4704862 
1 1 1 14 16 17 o 1.429454       0.4059748     1.238666       0.7126448     1.521118       0.4939640 
1 1 1 14 16 18 o 0.8524069      0.3951499     1.742411       0.7134166     0.4585277      0.4746010 
1 1 1 14 16 19 o 3.281405       0.4037822     3.364681       0.7338740     3.245250       0.4835549 
1 1 1 14 16 20 o 2.480924       0.4123214     2.580299       0.7709396     2.441110       0.4879775 
1 1 1 14 16 21 o 1.029809       0.4954719     0.2522393      0.8395403     1.445382       0.6137557 
1 1 1 14 16 22 o -0.5748861E-01 0.4671257     -0.4202851     0.7562437     0.1663308      0.5939900 
1 1 1 14 16 23 o 0.6441238      0.4679842     -0.6268114     0.7565852     1.431722       0.5955915 
1 1 1 14 16 24 o -0.6625653E-01 0.4758571     -0.1091595     0.7818208     -0.4101003E-01 0.5997416 
1 1 1 14 16 25 o 0.3927035      0.4921224     1.272910       0.8089236     -0.1244882     0.6200703 
1 1 1 14 17 0  o 4.072665       0.6776702     4.072665       0.4791852     ?              ?         
1 1 1 14 17 1  o 2.036710       0.4592857     2.300054       0.6712133     1.804846       0.6298174 
1 1 1 14 17 2  o 3.456120       0.4683204     4.018941       0.6627586     2.894835       0.6618524 
1 1 1 14 17 3  o 2.831345       0.4794980     2.945323       0.7134224     2.737435       0.6475751 
1 1 1 14 17 4  o 0.9721114E-01  0.4785501     -0.1759649     0.7248022     0.3083289      0.6371777 
1 1 1 14 17 5  o 1.721025       0.4708391     0.9582408      0.7020286     2.344659       0.6347734 
1 1 1 14 17 6  o 2.386178       0.4739864     2.409618       0.6953530     2.365834       0.6478058 
1 1 1 14 17 7  o 1.593920       0.4705306     1.805817       0.7055716     1.424209       0.6314437 
1 1 1 14 17 8  o 7.698433       0.5065580     7.908999       0.7854691     7.548495       0.6628108 
1 1 1 14 17 9  o 4.347824       0.4745120     3.821952       0.7430102     4.710031       0.6166416 
1 1 1 14 17 10 o 0.4812236      0.4585743     -0.9733785E-01 0.7030294     0.9096853      0.6049991 
1 1 1 14 17 11 o 0.5883569      0.4655562     0.5861809      0.7375503     0.5897981      0.6002498 
1 1 1 14 17 12 f 3.961329       0.4703300     3.948366       0.7340213     3.970358       0.6126139 
1 1 1 14 17 13 o 0.7794669      0.4639086     0.9473649      0.7266833     0.6639716      0.6027045 
1 1 1 14 17 14 o 2.440104       0.4220228     2.607479       0.7310467     2.356444       0.5168415 
1 1 1 14 17 15 o 2.455456       0.4341314     2.402387       0.7311160     2.484358       0.5395496 
1 1 1 14 17 16 o 1.185930       0.4139223     1.470088       0.7288949     1.050676       0.5028737 
1 1 1 14 17 17 o 2.292741       0.4272550     1.784629       0.7372264     2.549710       0.5242772 
1 1 1 14 17 18 o 6.735839       0.4426351     6.385425       0.7861015     6.898518       0.5356152 
1 1 1 14 17 19 o 7.011744       0.4623469     7.021782       0.8167058     7.007010       0.5608770 
1 1 1 14 17 20 o 1.081883       0.4252991     1.509472       0.7781037     0.8997161      0.5078779 
1 1 1 14 17 21 o 0.8631363      0.4527037     0.7794610      0.7805619     0.9055477      0.5557124 
1 1 1 14 17 22 o 0.9321936      0.4566752     0.9854675      0.7948633     0.9059439      0.5579542 
1 1 1 14 17 23 o 0.6895221      0.6122193     -1.177284      3.759279      0.7403823      0.6205030 
1 1 1 14 17 24 o 0.8871881      0.4986979     0.8343707      0.8113313     0.9192609      0.6322337 
1 1 1 14 18 0  o -0.5384108E-01 0.6530519     -0.5384108E-01 0.4617774     ?              ?         
1 1 1 14 18 1  o 1.514971       0.5684395     1.615981       0.8249799     1.423666       0.7843481 
1 1 1 14 18 2  o -0.3456155     0.4806362     -1.192910      0.7116830     0.3649018      0.6517136 
1 1 1 14 18 3  o 1.691724       0.4857086     1.033307       0.7182122     2.246638       0.6593482 
1 1 1 14 18 4  o 1.323437       0.4849795     1.669865       0.7124420     1.024277       0.6620557 
1 1 1 14 18 5  o 7.162661       0.4944291     6.720805       0.7152374     7.567057       0.6842484 
1 1 1 14 18 6  o 13.93787       0.5345829     13.76866       0.7948632     14.07762       0.7223561 
1 1 1 14 18 7  o 13.81684       0.5378816     13.71552       0.7990929     13.90078       0.7273214 
1 1 1 14 18 8  f 13.52699       0.5223123     13.42885       0.7732982     13.60932       0.7082971 
1 1 1 14 18 9  o 15.84614       0.5556517     17.25120       0.8704381     14.87978       0.7218702 
1 1 1 14 18 10 o 14.68676       0.5492181     15.59606       0.8595691     14.05943       0.7139640 
1 1 1 14 18 11 o 11.84327       0.5307052     11.71358       0.8312244     11.93250       0.6895380 
1 1 1 14 18 12 o 5.428675       0.5011938     5.295161       0.7819630     5.521766       0.6529460 
1 1 1 14 18 13 o 3.724172       0.4942723     4.806929       0.7621229     2.938133       0.6493545 
1 1 1 14 18 14 o 2.258683       0.4458506     1.762650       0.7516041     2.527997       0.5538130 
1 1 1 14 18 15 o 0.1671398      0.4418482     0.4628348      0.7560080     0.1373644E-01  0.5445300 
1 1 1 14 18 16 o 1.148397       0.4447814     0.2635629      0.7790006     1.576373       0.5417721 
1 1 1 14 18 17 o 4.229414       0.4571339     4.387778       0.8144074     4.156568       0.5523564 
1 1 1 14 18 18 f 1.939202       0.4565775     1.817438       0.8176052     1.994381       0.5503919 
1 1 1 14 18 19 o 0.1490470      0.4405575     0.2111275      0.7783163     0.1197789      0.5344117 
1 1 1 14 18 20 o 0.4314257      0.4525766     1.725431       0.8105974     -0.1546431     0.5455212 
1 1 1 14 18 21 o 0.4515184      0.4706688     -0.8047812     0.8234260     1.061170       0.5736130 
1 1 1 14 18 22 f 0.5180877      0.4807193     0.5149300      0.8418919     0.5196154      0.5855641 
1 1 1 14 18 23 o 0.5396316      0.5103717     1.170331       0.8424709     0.1739695      0.6414811 
1 1 1 14 19 0  o 0.1309014      0.6710328     0.1309014      0.4744918     ?              ?         
1 1 1 14 19 1  o 1.165430       0.4672222     1.182101       0.6534871     1.147996       0.6682647 
1 1 1 14 19 2  o 2.725571       0.4787520     2.907152       0.7069985     2.571793       0.6506244 
1 1 1 14 19 3  o 2.909644       0.5016147     2.969760       0.7404901     2.858664       0.6819062 
1 1 1 14 19 4  f 9.429964       0.5248179     9.118553       0.7729455     9.696331       0.7148619 
1 1 1 14 19 5  o 8.026371       0.5016018     7.461229       0.7415530     8.503052       0.6810470 
1 1 1 14 19 6  f 3.546620       0.4937735     3.446959       0.7334070     3.629248       0.6677976 
1 1 1 14 19 7  o 3.966695       0.4952918     4.094901       0.7406987     3.863006       0.6661189 
1 1 1 14 19 8  o 6.739479       0.4893289     6.653525       0.7457843     6.804454       0.6484175 
1 1 1 14 19 9  o 7.921101       0.5106022     7.943036       0.7649612     7.903474       0.6857212 
1 1 1 14 19 10 o 4.151595       0.5114253     4.957564       0.7945843     3.581554       0.6682420 
1 1 1 14 19 11 o 2.481225       0.5091218     1.624090       0.7709919     3.143987       0.6779604 
1 1 1 14 19 12 o 3.514377       0.5431615     5.000545       0.8550498     2.508942       0.7032899 
1 1 1 14 19 13 o 1.802562       0.5080791     1.221063       0.7721113     2.246661       0.6747541 
1 1 1 14 19 14 o 3.580662       0.4851883     3.893244       0.7881247     3.389898       0.6156898 
1 1 1 14 19 15 o 3.728061       0.4768058     3.362039       0.8149346     3.918577       0.5879436 
1 1 1 14 19 16 f 3.163481       0.4801418     1.995461       0.8337688     3.743014       0.5872993 
1 1 1 14 19 17 o -0.9411709E-01 0.4687661     0.6326249      0.7902306     -0.4886971     0.5822791 
1 1 1 14 19 18 o 0.4866319      0.4677837     0.8974602      0.8322434     0.2968963      0.5655805 
1 1 1 14 19 19 o 2.507926       0.4737353     2.645962       0.8586843     2.447528       0.5679984 
1 1 1 14 19 20 o 3.689941       0.4892918     3.774642       0.8722734     3.651054       0.5910339 
1 1 1 14 19 21 o 3.207066       0.5004720     3.823902       0.8585826     2.889615       0.6159349 
1 1 1 14 19 22 o 0.9667991      0.5609528     0.4791239      1.123944      1.128573       0.6473417 
1 1 1 14 20 0  o 0.5883130      0.6411540     0.5883130      0.4533643     ?              ?         
1 1 1 14 20 1  o 1.000491       0.4935326     0.3274898      0.7333234     1.557705       0.6672650 
1 1 1 14 20 2  o 0.6208547      0.4956877     1.254384       0.7458233     0.1196019      0.6634086 
1 1 1 14 20 3  o 3.143253       0.4980940     2.976803       0.7230107     3.293612       0.6871772 
1 1 1 14 20 4  o 5.380078       0.5127689     5.158571       0.7625675     5.562895       0.6927755 
1 1 1 14 20 5  o 5.583346       0.5112637     5.881231       0.7706498     5.349175       0.6832811 
1 1 1 14 20 6  f 4.319147       0.5159855     4.897992       0.7611406     3.826923       0.7018836 
1 1 1 14 20 7  o 2.150531       0.4957789     2.375068       0.7312120     1.959477       0.6744922 
1 1 1 14 20 8  f 3.691725       0.5098041     3.947493       0.7573870     3.479845       0.6893500 
1 1 1 14 20 9  o 6.750916       0.5320616     6.964599       0.7893448     6.572988       0.7202855 
1 1 1 14 20 10 o 10.13452       0.5275543     9.823550       0.7817478     10.39457       0.7148776 
1 1 1 14 20 11 o 11.18391       0.5574079     12.47753       0.8628539     10.25740       0.7302287 
1 1 1 14 20 12 o 3.785837       0.5311310     3.789166       0.8192591     3.783424       0.6975903 
1 1 1 14 20 13 o 3.123167       0.5185094     2.935014       0.7938128     3.263181       0.6847763 
1 1 1 14 20 14 o 1.780645       0.4920579     0.9396161      0.8366173     2.225440       0.6084174 
1 1 1 14 20 15 o 0.9668479      0.5015433     1.189070       0.8296620     0.8388717      0.6296101 
1 1 1 14 20 16 o 0.6051666      0.4758850     0.1714673      0.8217965     0.8239726      0.5837135 
1 1 1 14 20 17 o 2.023624       0.4955393     2.898334       0.8656151     1.597219       0.6043714 
1 1 1 14 20 18 o -0.2891357     0.4974608     -0.4491467     0.8603301     -0.2087674     0.6097227 
1 1 1 14 20 19 o 0.6014126E-01  0.4976001     0.4062447      0.8829679     -0.1009357     0.6023636 
1 1 1 14 20 20 f 0.3958501      0.4978475     0.5752037      0.8827251     0.3121895      0.6028799 
1 1 1 14 21 0  o 1.782025       0.7702386     1.782025       0.5446410     ?              ?         
1 1 1 14 21 1  o 0.8707125      0.5155056     1.119212       0.7562553     0.6550269      0.7045572 
1 1 1 14 21 2  o 0.6769955E-01  0.5034544     0.1478351      0.7279088     -0.5790984E-02 0.6970758 
1 1 1 14 21 3  o -0.8012875E-01 0.5035498     -0.3970297     0.7452096     0.1861430      0.6830920 
1 1 1 14 21 4  f 2.357115       0.5115921     2.411787       0.7408632     2.307284       0.7073039 
1 1 1 14 21 5  o 2.362776       0.5080047     1.772787       0.7598885     2.839531       0.6830872 
1 1 1 14 21 6  o 5.114156       0.5313337     5.306729       0.7861319     4.952201       0.7209331 
1 1 1 14 21 7  o 5.023343       0.5304564     4.714183       0.7968672     5.269354       0.7108392 
1 1 1 14 21 8  o 5.549551       0.5290873     5.813043       0.7744364     5.318919       0.7245384 
1 1 1 14 21 9  o 5.269201       0.5313091     5.979983       0.7735856     4.634536       0.7309912 
1 1 1 14 21 10 o 2.017991       0.5154250     2.206922       0.7805871     1.871937       0.6863199 
1 1 1 14 21 11 f 0.6030732      0.5417283     1.335074       0.8265985     0.5196363E-01  0.7172287 
1 1 1 14 21 12 o 2.761662       0.5590646     3.550465       0.8470316     2.152777       0.7441880 
1 1 1 14 21 13 o 3.973502       0.5105454     4.333682       0.8620962     3.778947       0.6336035 
1 1 1 14 21 14 o 2.122444       0.5250297     2.236729       0.8748559     2.058115       0.6563688 
1 1 1 14 21 15 o 1.486880       0.5253867     0.1988762      0.8688260     2.229380       0.6596634 
1 1 1 14 21 16 f 1.795771       0.5212845     0.8723131      0.8648878     2.322628       0.6532769 
1 1 1 14 21 17 o 1.334506       0.5165702     1.882498       0.9122777     1.075880       0.6267238 
1 1 1 14 21 18 o 1.523238       0.5139081     1.202280       0.8814995     1.688492       0.6325200 
1 1 1 14 21 19 o -0.1631139     0.5174651     0.1144204      0.9127323     -0.2945734     0.6281757 
1 1 1 14 22 0  o 5.545480       0.8154823     5.545480       0.5766330     ?              ?         
1 1 1 14 22 1  o 3.865183       0.5600532     4.424375       0.8006787     3.329504       0.7836649 
1 1 1 14 22 2  o 2.902045       0.5382723     2.627719       0.7958875     3.133301       0.7307420 
1 1 1 14 22 3  o 3.309728       0.5267065     3.777358       0.7709647     2.900442       0.7212673 
1 1 1 14 22 4  o 2.614394       0.5420262     2.309825       0.8018810     2.870622       0.7354957 
1 1 1 14 22 5  o 1.412451       0.5287559     1.148155       0.7675862     1.651117       0.7294203 
1 1 1 14 22 6  f 0.8394128      0.5265459     0.8278087      0.7999418     0.8482841      0.6994345 
1 1 1 14 22 7  f 0.6127144      0.5213358     0.8636121      0.7807904     0.4108696      0.7003173 
1 1 1 14 22 8  o -0.3844607     0.5308974     0.9064520      0.8017581     -1.392446      0.7084709 
1 1 1 14 22 9  o 0.7999493      0.5293009     1.190501       0.7808051     0.4678774      0.7199785 
1 1 1 14 22 10 o 3.411770       0.5668519     3.555727       0.8543550     3.298563       0.7576314 
1 1 1 14 22 11 f 3.299057       0.5558448     3.305804       0.8092298     3.293031       0.7648158 
1 1 1 14 22 12 o 0.2538500      0.5658249     0.7204407      0.8794497     -0.7571366E-01 0.7391161 
1 1 1 14 22 13 o 1.119620       0.5193944     0.8810579      0.8477590     1.262979       0.6571778 
1 1 1 14 22 14 o 4.047588       0.5443044     3.605556       0.9137088     4.290738       0.6776693 
1 1 1 14 22 15 o 4.154690       0.5422444     3.923283       0.9134187     4.280620       0.6738227 
1 1 1 14 22 16 o 0.1312977      0.5377269     0.7755826      0.9234160     -0.1992784     0.6614457 
1 1 1 14 22 17 o 0.9119133      0.5318833     1.150793       0.9121275     0.7888356      0.6547197 
1 1 1 14 23 0  f 1.988860       0.8120100     1.988860       0.5741777     ?              ?         
1 1 1 14 23 1  o 0.6212626      0.5791901     1.487026       0.8230215     -0.2281883     0.8152310 
1 1 1 14 23 2  f -0.3347603     0.5845365     -1.085836      0.8378616     0.3774487      0.8158950 
1 1 1 14 23 3  o 0.1177092      0.5405567     0.6327993      0.7868927     -0.3425684     0.7438474 
1 1 1 14 23 4  f 2.716315       0.5603500     3.129575       0.8324336     2.373898       0.7577326 
1 1 1 14 23 5  o 1.247663       0.5580061     0.7197995      0.8005124     1.746559       0.7782385 
1 1 1 14 23 6  o 1.326071       0.5633025     2.627032       0.8386608     0.2567392      0.7603448 
1 1 1 14 23 7  o 1.154214       0.5494874     1.269807       0.8164752     1.058513       0.7429088 
1 1 1 14 23 8  o 2.811056       0.5688562     3.933367       0.8481033     1.893205       0.7669697 
1 1 1 14 23 9  o 3.320030       0.5733542     3.571219       0.8330880     3.093984       0.7902940 
1 1 1 14 23 10 o 1.564769       0.5671597     1.033222       0.8323064     2.025559       0.7749332 
1 1 1 14 23 11 o -0.4407920     0.5617779     -0.8730666     0.8219070     -0.6177127E-01 0.7696162 
1 1 1 14 23 12 f 2.227521       0.5540900     2.249845       0.8076802     2.207674       0.7615554 
1 1 1 14 23 13 o 2.538097       0.5437754     3.507905       0.9157166     2.009836       0.6758379 
1 1 1 14 23 14 f 0.4789505      0.5327844     0.5556113      0.8760113     0.4339470      0.6711917 
1 1 1 14 23 15 o -0.1362270     0.5411561     -0.7384958     0.9253272     0.1768372      0.6671399 
1 1 1 14 24 0  o 0.7876952      0.8541034     0.7876952      0.6039423     ?              ?         
1 1 1 14 24 1  o -0.1758760     0.5925698     -0.7084655     0.8371490     0.3589362      0.8388941 
1 1 1 14 24 2  o 1.182160       0.6056993     1.286528       0.8541847     1.076609       0.8590120 
1 1 1 14 24 3  o 1.216942       0.5945275     1.851910       0.8229216     0.5236704      0.8598729 
1 1 1 14 24 4  o 1.919532       0.5854468     1.060374       0.8618504     2.655648       0.7977533 
1 1 1 14 24 5  o -0.2298107     0.5794483     0.5438669      0.8644134     -0.8611635     0.7808679 
1 1 1 14 24 6  o -0.5246620     0.5602182     -0.2842949     0.8495821     -0.7095836     0.7451807 
1 1 1 14 24 7  o 1.147005       0.5865870     1.733955       0.8674223     0.6524134      0.7962574 
1 1 1 14 24 8  o 4.000263       0.5859669     4.274969       0.8626552     3.764938       0.7984310 
1 1 1 14 24 9  o 7.004676       0.6180996     7.040922       0.9158750     6.974360       0.8376089 
1 1 1 14 24 10 o 5.839166       0.6012098     6.023556       0.8660095     5.667621       0.8352999 
1 1 1 14 24 11 o 2.053406       0.5953276     2.327206       0.8618189     1.803511       0.8233394 
1 1 1 14 24 12 o -0.1224320     0.5777482     1.311546       0.8516113     -1.345202      0.7863982 
1 1 1 14 25 0  o 1.068036       0.8835021     1.068036       0.6247303     ?              ?         
1 1 1 14 25 1  f 0.6033588      0.6238940     -0.7616727E-01 0.8782766     1.295542       0.8864184 
1 1 1 14 25 2  o 0.6180134      0.6296976     0.8301951      0.8994812     0.4140755      0.8818346 
1 1 1 14 25 3  o 1.278624       0.6620052     1.045060       0.8945009     1.561478       0.9843722 
1 1 1 14 25 4  o 0.4828466      0.6179109     1.150755       0.8884569     -0.1428972     0.8599559 
1 1 1 14 25 5  o 0.3837663      0.6090897     0.5047091      0.9134977     0.2869598      0.8172777 
1 1 1 14 25 6  o 1.270405       0.6002383     1.507386       0.8662356     1.051523       0.8324995 
1 1 1 14 25 7  o 0.9310956      0.6069384     1.519354       0.8954445     0.4311516      0.8254968 
1 1 1 14 25 8  o 1.538733       0.6047884     1.351974       0.8870198     1.700977       0.8267564 
1 1 1 14 25 9  o -0.4123195     0.5928678     -0.6457244     0.8599261     -0.2008656     0.8184910 
1 1 1 14 26 0  o -0.8542053     0.9005222     -0.8542053     0.6367654     ?              ?         
1 1 1 14 26 1  o -0.2573254     0.6474229     -0.3590177     0.9074898     -0.1519175     0.9239197 
1 1 1 14 26 2  o 0.9600976      0.6203008     1.317523       0.8603604     0.5731826      0.8951489 
1 1 1 14 26 3  o 0.4301698      0.6427842     0.8343261      0.9005441     0.1040500E-01  0.9177689 
1 1 1 14 26 4  o 1.961670       0.6821514     2.088473       0.9472883     1.825092       0.9831249 
1 1 1 15 0  0  o 0.5724254      0.7071977     0.5724254      0.5000643     ?              ?         
1 1 1 15 0  1  o 6.574095       0.5147740     6.574095       0.3640002     ?              ?         
1 1 1 15 0  2  o 10.29471       0.5548067     10.29471       0.3923076     ?              ?         
1 1 1 15 0  3  o 4.139112       0.5099890     4.139112       0.3606167     ?              ?         
1 1 1 15 0  4  o 6.420870       0.5161139     6.420870       0.3649476     ?              ?         
1 1 1 15 0  5  o 120.5246       1.924657      120.5246       1.360938      ?              ?         
1 1 1 15 0  6  o 95.46375       1.502324      95.46375       1.062303      ?              ?         
1 1 1 15 0  7  o 41.43618       0.8333873     41.43618       0.5892938     ?              ?         
1 1 1 15 0  8  o 55.68256       0.9882591     55.68256       0.6988047     ?              ?         
1 1 1 15 0  9  o 153.8330       2.205637      153.8330       1.559621      ?              ?         
1 1 1 15 0  10 f 115.5425       1.739559      115.5425       1.230054      ?              ?         
1 1 1 15 0  11 o 103.0547       1.584401      103.0547       1.120341      ?              ?         
1 1 1 15 0  12 o 23.25281       0.6447496     23.25281       0.4559068     ?              ?         
1 1 1 15 0  13 o 6.093958       0.4451635     6.093958       0.3147781     ?              ?         
1 1 1 15 0  14 o 0.5568334      0.3932497     0.5568334      0.2780696     ?              ?         
1 1 1 15 0  15 o 31.37220       0.7355394     31.37220       0.5201049     ?              ?         
1 1 1 15 0  16 o 1.467914       0.3674780     1.467914       0.2598462     ?              ?         
1 1 1 15 0  17 o 1.856985       0.3444910     1.856985       0.2435919     ?              ?         
1 1 1 15 0  18 o 0.3158803      0.3200454     0.3158803      0.2263063     ?              ?         
1 1 1 15 0  19 f 4.170127       0.3450037     4.170127       0.2439545     ?              ?         
1 1 1 15 0  20 o 2.315969       0.2752182     2.315969       0.1946086     ?              ?         
1 1 1 15 0  21 o 0.1238992      0.2642251     0.1238992      0.1868354     ?              ?         
1 1 1 15 0  22 o 1.307220       0.2861979     1.307220       0.2023725     ?              ?         
1 1 1 15 0  23 o -0.7959607E-01 0.2854887     -0.7959607E-01 0.2018710     ?              ?         
1 1 1 15 0  24 o 0.1784351E-01  0.3044201     0.1784351E-01  0.2152575     ?              ?         
1 1 1 15 0  25 o -0.7705430     0.3266874     -0.7705430     0.2310029     ?              ?         
1 1 1 15 0  26 o 0.7131185E-01  0.3463047     0.7131185E-01  0.2448744     ?              ?         
1 1 1 15 0  27 o 0.3154699      0.4330464     0.3154699      0.3062101     ?              ?         
1 1 1 15 0  28 o 3.416576       0.4922605     3.416576       0.3480807     ?              ?         
1 1 1 15 0  29 o 1.962828       0.5136237     1.962828       0.3631868     ?              ?         
1 1 1 15 0  30 o 3.274755       0.5384100     3.274755       0.3807134     ?              ?         
1 1 1 15 0  31 o 0.9827994E-01  0.6056677     0.9827994E-01  0.4282717     ?              ?         
1 1 1 15 1  0  f 28.76064       0.7370204     28.76064       0.5211521     ?              ?         
1 1 1 15 1  1  o 65.05486       0.8420592     65.96956       1.197392      64.15986       1.184417  
1 1 1 15 1  2  o 94.74083       1.123462      96.37314       1.602982      93.16498       1.575017  
1 1 1 15 1  3  o 116.9946       1.329345      118.0012       1.882962      115.9944       1.877009  
1 1 1 15 1  4  o 100.4849       1.139766      99.64384       1.557862      101.4536       1.671920  
1 1 1 15 1  5  o 63.85252       0.8095258     64.37025       1.113095      63.27120       1.179471  
1 1 1 15 1  6  o 10.73737       0.3727885     9.858002       0.5020047     11.81850       0.5566205 
1 1 1 15 1  7  o 9.093237       0.3463837     10.64012       0.5019591     7.686992       0.4785965 
1 1 1 15 1  8  o 9.688917       0.3371768     9.617674       0.4835304     9.756349       0.4704199 
1 1 1 15 1  9  o 16.66282       0.3786517     16.71608       0.5443794     16.61291       0.5270308 
1 1 1 15 1  10 o 34.45410       0.5210653     35.37626       0.7435127     33.56404       0.7304561 
1 1 1 15 1  11 o 14.21126       0.3518929     14.81274       0.5070159     13.65225       0.4887878 
1 1 1 15 1  12 o 23.80822       0.4359042     24.60335       0.6637301     23.20514       0.5780386 
1 1 1 15 1  13 o 1.513835       0.2930878     1.338581       0.4126076     1.692322       0.4163960 
1 1 1 15 1  14 o 4.109632       0.2850736     4.064912       0.4025761     4.154610       0.4037363 
1 1 1 15 1  15 o 13.23868       0.3442588     12.81200       0.4813935     13.68529       0.4925075 
1 1 1 15 1  16 o 14.68537       0.3638607     14.50317       0.4824122     14.92580       0.5541722 
1 1 1 15 1  17 o 9.043533       0.2841229     8.452834       0.3649558     9.952386       0.4526929 
1 1 1 15 1  18 o 0.4000153      0.3307067     -0.8448983     0.5998428     0.9436582      0.3963918 
1 1 1 15 1  19 o 2.528930       0.3456883     2.504611       0.6377335     2.539048       0.4113666 
1 1 1 15 1  20 o 1.136415       0.3325621     1.516518       0.6319949     0.9908626      0.3910863 
1 1 1 15 1  21 o -0.1627282     0.3273067     -0.7652794     0.6241558     0.6581925E-01  0.3844008 
1 1 1 15 1  22 o 1.466764       0.3335287     0.8704969      0.6066289     1.725099       0.3992960 
1 1 1 15 1  23 o 2.223491       0.2965733     2.302763       0.6365104     2.201509       0.3351800 
1 1 1 15 1  24 o 1.973366       0.1946881     1.893097       0.2298290     2.177312       0.3663450 
1 1 1 15 1  25 o 0.6189988      0.2047010     0.7287973      0.2571546     0.4290860      0.3381999 
1 1 1 15 1  26 f 0.6330101      0.2231789     0.7508333      0.2872648     0.4536085      0.3544708 
1 1 1 15 1  27 o 0.1905747      0.2548845     0.2435234      0.3149643     0.9010069E-01  0.4338711 
1 1 1 15 1  28 o 0.3153096      0.3115548     0.4473961      0.4240950     0.1604462      0.4592067 
1 1 1 15 1  29 f 0.2659600      0.3371344     0.2528652      0.4604662     0.2810903      0.4949606 
1 1 1 15 1  30 o 0.1053182      0.3579344     -0.2599280     0.4880995     0.5302411      0.5264664 
1 1 1 15 1  31 o 0.6637411      0.4268272     0.6507069      0.5717406     0.6801507      0.6415167 
1 1 1 15 2  0  o 0.5605466      0.4887315     0.5605466      0.3455853     ?              ?         
1 1 1 15 2  1  o 10.32568       0.3947799     10.72449       0.5704932     9.959229       0.5468623 
1 1 1 15 2  2  o 75.39101       0.9407143     76.67025       1.340676      74.15035       1.320300  
1 1 1 15 2  3  o 94.69685       1.091065      95.17374       1.503321      94.16605       1.585994  
1 1 1 15 2  4  o 57.53344       0.7550994     58.67831       1.044399      56.27953       1.093002  
1 1 1 15 2  5  o 23.10640       0.4677919     22.68815       0.6406811     23.58397       0.6846175 
1 1 1 15 2  6  o 60.68607       0.7797249     61.17323       1.075084      60.14544       1.132554  
1 1 1 15 2  7  o 9.348556       0.3660421     9.424528       0.5084039     9.266787       0.5274445 
1 1 1 15 2  8  o 30.27198       0.5136470     30.46798       0.7088385     30.05527       0.7453491 
1 1 1 15 2  9  o 62.89350       0.7733625     62.55518       1.103690      63.21985       1.083976  
1 1 1 15 2  10 f 54.09127       0.6918560     53.79408       0.9863749     54.37907       0.9706783 
1 1 1 15 2  11 o 3.085318       0.2783801     2.607644       0.4194565     3.461328       0.3721525 
1 1 1 15 2  12 o 0.8391286      0.2657523     1.460807       0.4349351     0.4687552      0.3357077 
1 1 1 15 2  13 o 19.71972       0.4195465     19.57114       0.5970154     19.86469       0.5897089 
1 1 1 15 2  14 o 39.20552       0.6251544     38.58016       0.8379454     39.99054       0.9388352 
1 1 1 15 2  15 f 16.04117       0.5009477     15.67418       0.7956591     16.28218       0.6447877 
1 1 1 15 2  16 o 1.776482       0.3844839     2.194302       0.6680529     1.569539       0.4701550 
1 1 1 15 2  17 f 3.876021       0.4043442     3.533172       0.7006925     4.047190       0.4950957 
1 1 1 15 2  18 f 5.784275       0.4081463     6.279993       0.7195531     5.549124       0.4955848 
1 1 1 15 2  19 o 0.1478835      0.3732641     0.4728041      0.6739185     0.4096461E-02  0.4483101 
1 1 1 15 2  20 o 0.8312446      0.3638760     1.209211       0.6478975     0.6570939      0.4397870 
1 1 1 15 2  21 o 1.035303       0.3765321     0.3537348      0.6606081     1.363279       0.4582578 
1 1 1 15 2  22 o 1.524212       0.3834703     1.033350       0.6703466     1.762973       0.4675212 
1 1 1 15 2  23 o 2.721243       0.3949821     2.097622       0.6931345     3.021133       0.4806600 
1 1 1 15 2  24 o 1.054081       0.4021012     0.8223240      0.7051682     1.165745       0.4894769 
1 1 1 15 2  25 o 1.357971       0.4060118     1.192600       0.7023847     1.440956       0.4975617 
1 1 1 15 2  26 o 1.756971       0.4902202     1.896669       0.7250262     1.639318       0.6653621 
1 1 1 15 2  27 o -0.1801805     0.2511354     -0.1243140     0.3009026     -0.3084296     0.4559084 
1 1 1 15 2  28 o 0.7653233      0.2270329     0.6766161      0.2681243     0.9900434      0.4267541 
1 1 1 15 2  29 o 0.4887283E-01  0.2971172     -0.2160517     0.3788501     0.4721796      0.4788879 
1 1 1 15 2  30 o 0.8403189      0.3262137     1.121123       0.4197497     0.4120553      0.5183756 
1 1 1 15 2  31 o 0.9674486      0.5454429     1.286943       0.8400320     0.7345605      0.7171954 
1 1 1 15 3  0  o 45.50674       0.9481105     45.50674       0.6704153     ?              ?         
1 1 1 15 3  1  o 4.330684       0.3626556     4.613113       0.5033003     4.025699       0.5230123 
1 1 1 15 3  2  o 25.43817       0.4963957     25.51182       0.6805909     25.35446       0.7255865 
1 1 1 15 3  3  o 24.38133       0.4876463     23.37192       0.6649507     25.55592       0.7172919 
1 1 1 15 3  4  o 11.60232       0.3997970     11.47596       0.5520779     11.74165       0.5797319 
1 1 1 15 3  5  o 5.029408       0.3530957     5.197299       0.4960941     4.857032       0.5026764 
1 1 1 15 3  6  o 36.52245       0.5813177     36.18373       0.8019959     36.89742       0.8438120 
1 1 1 15 3  7  o 39.01825       0.5942564     38.28543       0.8112368     39.86684       0.8729652 
1 1 1 15 3  8  o 13.10938       0.3875685     13.43171       0.5385163     12.76302       0.5582241 
1 1 1 15 3  9  o 0.3889116      0.3177036     0.1604885      0.4493728     0.6171883      0.4492287 
1 1 1 15 3  10 f 26.71417       0.4616865     27.16830       0.6721466     26.30852       0.6352603 
1 1 1 15 3  11 o 7.306763       0.3127354     7.152952       0.5092505     7.399892       0.3962582 
1 1 1 15 3  12 o 2.302318       0.2611740     2.176475       0.4294115     2.376202       0.3290285 
1 1 1 15 3  13 o 1.726925       0.2685062     1.901383       0.3453215     1.460173       0.4270031 
1 1 1 15 3  14 o 9.940965       0.4809890     10.33639       0.7707039     9.688694       0.6155856 
1 1 1 15 3  15 o 8.479673       0.4632422     8.773391       0.7652034     8.309755       0.5820113 
1 1 1 15 3  16 o 1.171053       0.4118166     1.807374       0.7054439     0.8420997      0.5072137 
1 1 1 15 3  17 o 7.417459       0.4436442     7.058758       0.7510906     7.609662       0.5498024 
1 1 1 15 3  18 o 2.327445       0.4113909     3.197659       0.7149307     1.896663       0.5030134 
1 1 1 15 3  19 o 2.756074       0.4142099     2.761685       0.7092294     2.753169       0.5102783 
1 1 1 15 3  20 o -0.5254008E-01 0.3992616     0.5597654      0.7105456     -0.3350794     0.4826667 
1 1 1 15 3  21 o 0.3037349      0.4057251     -0.6230555     0.6988782     0.7748690      0.4982910 
1 1 1 15 3  22 o 0.6779363      0.4116630     0.7130182      0.7163954     0.6606414      0.5030017 
1 1 1 15 3  23 o 0.7782341      0.4239422     0.3808133      0.7167928     0.9920465      0.5257567 
1 1 1 15 3  24 f 0.4137063      0.4286194     -0.2797988     0.7575575     0.7402414      0.5198232 
1 1 1 15 3  25 o 1.547801       0.4355110     1.687562       0.7638655     1.480489       0.5301110 
1 1 1 15 3  26 o 0.2973985      0.5149248     -0.1456542E-01 0.7587781     0.5637131      0.7010680 
1 1 1 15 3  27 o 1.777592       0.5466529     2.135504       0.8037784     1.469569       0.7456571 
1 1 1 15 3  28 o 0.7205549      0.5703884     1.862865       0.8618535     -0.1697167     0.7608564 
1 1 1 15 3  29 o 1.530527       0.2694752     1.463403       0.3283503     1.669014       0.4716317 
1 1 1 15 3  30 o 0.5729088      0.2508486     0.5479341      0.2936831     0.6402851      0.4823721 
1 1 1 15 4  0  o 156.4472       2.286194      156.4472       1.616583      ?              ?         
1 1 1 15 4  1  o 221.2161       2.189058      220.2783       3.082935      222.1697       3.108819  
1 1 1 15 4  2  o 130.8862       1.440361      134.1832       2.005394      127.3731       2.070102  
1 1 1 15 4  3  o 210.6421       2.153283      212.9384       2.985890      208.1537       3.108194  
1 1 1 15 4  4  o 67.40691       0.8531675     69.52328       1.184590      65.12592       1.229802  
1 1 1 15 4  5  o 66.24384       0.8399891     65.57541       1.148132      67.01369       1.232162  
1 1 1 15 4  6  o 24.02704       0.4837945     24.07191       0.6602748     23.97503       0.7109046 
1 1 1 15 4  7  o 24.40059       0.4778581     25.32363       0.6583637     23.37289       0.6946851 
1 1 1 15 4  8  o 31.00278       0.5352142     31.14188       0.7416536     30.85161       0.7731423 
1 1 1 15 4  9  o 37.69475       0.5897604     37.88071       0.8161891     37.49157       0.8531311 
1 1 1 15 4  10 o 1.746886       0.3200988     1.733119       0.4612646     1.759675       0.4445727 
1 1 1 15 4  11 o 4.068675       0.2882839     4.224809       0.4966625     3.989343       0.3540261 
1 1 1 15 4  12 o 14.14256       0.3408180     13.87884       0.5541344     14.30301       0.4322405 
1 1 1 15 4  13 o 3.041017       0.2469418     2.681467       0.3107028     3.657664       0.4068962 
1 1 1 15 4  14 f 8.951150       0.4950256     8.547487       0.8080130     9.193694       0.6263311 
1 1 1 15 4  15 o 14.58344       0.5295542     14.15390       0.8530092     14.85280       0.6754833 
1 1 1 15 4  16 o 22.89632       0.6007912     24.03346       0.9640904     22.17437       0.7681894 
1 1 1 15 4  17 o 6.215820       0.4545737     6.449458       0.7511832     6.080829       0.5709891 
1 1 1 15 4  18 o 2.706457       0.4405133     3.223584       0.7456148     2.429163       0.5459912 
1 1 1 15 4  19 o 7.054632       0.4678558     7.014667       0.7811791     7.076985       0.5842236 
1 1 1 15 4  20 f 2.696397       0.4392993     3.581080       0.7370667     2.208993       0.5470883 
1 1 1 15 4  21 o 1.145463       0.4383703     0.6968203E-01  0.7360739     1.736739       0.5457005 
1 1 1 15 4  22 o 0.5654922      0.4496312     0.4755805      0.7721049     0.6116300      0.5530913 
1 1 1 15 4  23 o 0.3553268      0.4419986     0.2578151      0.7473940     0.4077726      0.5481213 
1 1 1 15 4  24 f 1.323077       0.4492794     2.039703       0.7664007     0.9478612      0.5545619 
1 1 1 15 4  25 f 1.244126       0.5477668     2.943962       0.8314660     -0.5934844E-01 0.7281022 
1 1 1 15 4  26 o 2.211853       0.5585870     2.072637       0.8320165     2.326093       0.7536998 
1 1 1 15 4  27 o 1.325586       0.5886180     0.7729004      0.9097126     1.723605       0.7720001 
1 1 1 15 4  28 f 1.858917       0.5914412     1.717787       0.8954599     1.968127       0.7877102 
1 1 1 15 4  29 o 0.5940528      0.6135224     -0.2401239     0.9208933     1.259806       0.8226913 
1 1 1 15 4  30 o -0.2006126     0.6307116     -0.6211687     0.9664125     0.1114158      0.8324299 
1 1 1 15 5  0  o 63.24916       1.131722      63.24916       0.8002486     ?              ?         
1 1 1 15 5  1  f 35.64523       0.5697803     35.57164       0.8113984     35.71682       0.8002982 
1 1 1 15 5  2  f 3.674901       0.3718373     3.982721       0.5373129     3.392000       0.5151048 
1 1 1 15 5  3  o 17.40326       0.4535604     18.90660       0.6357094     15.84456       0.6473104 
1 1 1 15 5  4  f 16.74546       0.4526341     17.83515       0.6237070     15.53300       0.6579036 
1 1 1 15 5  5  o 52.85447       0.7346492     54.76749       1.018887      50.78297       1.060249  
1 1 1 15 5  6  f 47.15631       0.6784658     49.42216       0.9453139     44.74921       0.9743353 
1 1 1 15 5  7  o 58.28800       0.7802447     59.58154       1.076491      56.85635       1.132504  
1 1 1 15 5  8  f 28.07219       0.5178507     27.74277       0.7105964     28.44528       0.7562353 
1 1 1 15 5  9  o 35.34898       0.5581773     36.13592       0.8013213     34.60724       0.7779607 
1 1 1 15 5  10 o 38.38814       0.5810689     38.71017       0.8317922     38.08119       0.8120736 
1 1 1 15 5  11 o 29.52075       0.5208061     28.75630       0.7708736     30.16268       0.7064041 
1 1 1 15 5  12 f 13.87426       0.3409047     13.56184       0.5563720     14.06207       0.4313646 
1 1 1 15 5  13 o 6.664795       0.3645106     8.287720       0.8377326     6.285776       0.4048432 
1 1 1 15 5  14 o 22.13910       0.6067311     21.28763       0.9730381     22.68075       0.7760804 
1 1 1 15 5  15 o 16.21766       0.5632948     16.45891       0.9007859     16.06273       0.7218446 
1 1 1 15 5  16 o 7.808731       0.5339631     7.424494       0.8388614     8.070460       0.6923354 
1 1 1 15 5  17 o 14.74984       0.5436398     13.36942       0.8696926     15.63516       0.6964836 
1 1 1 15 5  18 f 8.210060       0.4970556     8.400737       0.8197613     8.099199       0.6250666 
1 1 1 15 5  19 o 9.676291       0.5021259     9.880704       0.8183355     9.552857       0.6359071 
1 1 1 15 5  20 o 1.383809       0.4529600     0.9412624      0.7565346     1.631100       0.5655277 
1 1 1 15 5  21 o 2.557441       0.4607776     2.309935       0.7611842     2.700595       0.5788921 
1 1 1 15 5  22 o 0.6470665E-01  0.4594617     1.098297       0.7621018     -0.5255006     0.5758919 
1 1 1 15 5  23 f 0.7357887      0.4671859     1.267223       0.7959825     0.4565082      0.5770307 
1 1 1 15 5  24 o 0.4596760      0.4750670     0.4608024      0.8095651     0.4590844      0.5867059 
1 1 1 15 5  25 o 0.2375061      0.5643750     0.2118902      0.8319802     0.2593411      0.7681316 
1 1 1 15 5  26 o -0.1224002     0.5882977     -0.1274279     0.8711291     -0.1181847     0.7976726 
1 1 1 15 5  27 o 1.022435       0.6065468     1.785399       0.9013234     0.3909328      0.8200048 
1 1 1 15 5  28 o -1.231794      0.6048988     -0.6199002     0.9375721     -1.668115      0.7917170 
1 1 1 15 5  29 o 0.4049890      0.6482282     1.298393       0.9704485     -0.3147757     0.8710515 
1 1 1 15 5  30 o 0.2894800      0.6565167     -0.8300428E-01 0.9786386     0.5942836      0.8852754 
1 1 1 15 6  0  o 17.31113       0.6434115     17.31113       0.4549606     ?              ?         
1 1 1 15 6  1  o 93.57636       1.074053      95.26471       1.522612      91.90421       1.515295  
1 1 1 15 6  2  o 66.65955       0.8348871     68.01038       1.186401      65.33435       1.175098  
1 1 1 15 6  3  o 87.74617       1.020579      88.23923       1.442454      87.25193       1.444179  
1 1 1 15 6  4  o 30.17819       0.5429799     30.12272       0.7672778     30.23385       0.7685028 
1 1 1 15 6  5  o 1.715549       0.3828871     1.581613       0.5241843     1.868752       0.5606183 
1 1 1 15 6  6  o 1.059899       0.3786646     1.145181       0.5219311     0.9651254      0.5502128 
1 1 1 15 6  7  o 3.457988       0.3654386     3.939795       0.5288166     3.017589       0.5055824 
1 1 1 15 6  8  o 5.784751       0.3799189     6.081815       0.5503395     5.514289       0.5251203 
1 1 1 15 6  9  o 21.94508       11.42389      21.94508       11.42389      ?              ?         
1 1 1 15 6  10 o 19.97102       0.4654056     20.74196       0.7072225     19.38213       0.6181078 
1 1 1 15 6  11 o 70.09459       0.8902356     70.02728       1.318807      70.15094       1.206626  
1 1 1 15 6  12 o 30.35085       0.5208467     29.91266       0.7777501     30.70716       0.7013388 
1 1 1 15 6  13 o 8.272527       0.3139490     7.980943       0.4294551     8.607224       0.4601103 
1 1 1 15 6  14 o 6.405840       0.5074766     6.169501       0.8578159     6.533088       0.6294378 
1 1 1 15 6  15 f 11.86345       0.5451952     12.84920       0.8682783     11.22184       0.7005030 
1 1 1 15 6  16 o 14.54159       0.5502470     15.14877       0.9061210     14.18689       0.6925643 
1 1 1 15 6  17 o 2.020059       0.4687791     1.884734       0.7865486     2.094609       0.5837933 
1 1 1 15 6  18 o 0.9695069      0.4785314     0.8402799      0.8305544     1.033722       0.5854757 
1 1 1 15 6  19 o 5.261530       0.4999022     5.741524       0.8230598     4.980958       0.6292678 
1 1 1 15 6  20 o 7.293004       0.5181215     7.143324       0.8359265     7.386379       0.6602407 
1 1 1 15 6  21 o 3.284456       0.4903328     3.586886       0.8128038     3.111424       0.6148035 
1 1 1 15 6  22 f 2.385328       0.4964433     2.006454       0.8013752     2.621277       0.6324077 
1 1 1 15 6  23 o 2.851580       0.5177813     2.911555       0.8496599     2.816150       0.6530517 
1 1 1 15 6  24 o 1.059759       0.5897014     0.6758183      0.8741004     1.380473       0.7988924 
1 1 1 15 6  25 o 0.5860435      0.5890085     1.144619       0.8604639     0.9353182E-01  0.8079787 
1 1 1 15 6  26 o 2.092146       0.6295280     2.360708       0.9389723     1.872862       0.8484657 
1 1 1 15 6  27 o 0.4349005      0.6332923     1.565277       0.9389693     -0.5083863     0.8577520 
1 1 1 15 6  28 o 3.719174       0.6686862     3.793215       1.031508      3.665505       0.8782115 
1 1 1 15 6  29 o 0.8372989      0.6674193     1.305100       1.013326      0.4788745      0.8869870 
1 1 1 15 6  30 f 0.4613374      0.6838905     -0.2280796E-01 1.032671      0.8395509      0.9127308 
1 1 1 15 7  0  o 138.4173       2.093358      138.4173       1.480228      ?              ?         
1 1 1 15 7  1  o 141.4857       1.513956      141.0179       2.136805      141.9572       2.145335  
1 1 1 15 7  2  o 50.48485       0.7159659     49.19216       0.9993277     51.84818       1.026267  
1 1 1 15 7  3  o 12.00914       0.4368777     12.16936       0.6182981     11.84940       0.6173796 
1 1 1 15 7  4  f 61.47150       0.8065548     63.39069       1.146739      59.59259       1.134639  
1 1 1 15 7  5  o 88.65273       1.045886      90.10559       1.480795      87.20647       1.477423  
1 1 1 15 7  6  o 43.95942       0.6451163     45.42808       0.9442858     42.67399       0.8834173 
1 1 1 15 7  7  f 21.92980       0.5009236     21.32916       0.7167186     22.50337       0.7003895 
1 1 1 15 7  8  o 2.872561       0.4168218     2.408991       0.6007264     3.302957       0.5788331 
1 1 1 15 7  9  f 5.877928       0.3907678     5.810217       0.5738193     5.936485       0.5336256 
1 1 1 15 7  10 o 3.414209       0.3801189     2.852193       0.5967164     3.798016       0.4931171 
1 1 1 15 7  11 f 1.942080       0.3589507     2.405674       0.5615926     1.621871       0.4667341 
1 1 1 15 7  12 o 5.585487       0.3401549     5.590218       0.5340706     5.582258       0.4412220 
1 1 1 15 7  13 o 2.699937       0.2691430     2.433329       0.4338025     2.866789       0.3431791 
1 1 1 15 7  14 f 0.9775473      0.5071144     1.150145       0.8225836     0.8717347      0.6440669 
1 1 1 15 7  15 o 6.999274       0.5225242     7.519748       0.8533815     6.687110       0.6608988 
1 1 1 15 7  16 o 5.636241       0.5184215     6.388431       0.8360922     5.166419       0.6607800 
1 1 1 15 7  17 o 6.510489       0.5116034     5.900306       0.8089085     6.917291       0.6604812 
1 1 1 15 7  18 o 1.658882       0.4912749     1.992460       0.8309577     1.479629       0.6091340 
1 1 1 15 7  19 o 1.866817       0.5049177     2.211152       0.8324113     1.666378       0.6350940 
1 1 1 15 7  20 o 0.8437957      0.5016467     0.3855031      0.8174019     1.120698       0.6353719 
1 1 1 15 7  21 o 1.225050       0.5078286     0.3606514      0.8171500     1.768963       0.6482007 
1 1 1 15 7  22 o 0.6053623      0.5095963     0.3558645      0.8304788     0.7560382      0.6453825 
1 1 1 15 7  23 o 1.155535       0.5199654     1.782044       0.8533133     0.7855186      0.6557749 
1 1 1 15 7  24 o 1.283877       0.6082376     1.089732       0.8930881     1.451827       0.8306566 
1 1 1 15 7  25 o -0.3088872E-01 0.6205484     0.9833755E-01  0.9107659     -0.1428619     0.8477902 
1 1 1 15 7  26 f 0.8465086      0.6403152     0.8743060      0.9469057     0.8230881      0.8691657 
1 1 1 15 7  27 o 0.4756113      0.6666750     0.6873235      0.9719854     0.2875309      0.9161333 
1 1 1 15 7  28 o 0.1224508      0.6801963     0.4917241      1.014567      -0.1790432     0.9167401 
1 1 1 15 7  29 o -1.298332      0.6924047     -0.5103074     1.033942      -1.939089      0.9323369 
1 1 1 15 8  0  f 20.49334       0.7245290     20.49334       0.5123194     ?              ?         
1 1 1 15 8  1  o 11.00497       0.4499064     11.13362       0.6463509     10.88406       0.6266345 
1 1 1 15 8  2  o 16.22944       0.4856634     16.40112       0.6894095     16.06029       0.6842826 
1 1 1 15 8  3  o 9.572594       0.4528231     8.976040       0.6391861     10.17366       0.6415978 
1 1 1 15 8  4  o 10.93891       0.4421214     11.48880       0.6485445     10.46148       0.6043051 
1 1 1 15 8  5  o 14.54383       0.4660910     14.48612       0.6761857     14.59608       0.6433443 
1 1 1 15 8  6  f 13.38044       0.4581920     14.49954       0.6801657     12.45064       0.6199720 
1 1 1 15 8  7  o 27.09869       0.5400792     27.70700       0.8060762     26.60317       0.7275243 
1 1 1 15 8  8  o 32.42011       0.5735237     32.81926       0.8485748     32.08445       0.7781618 
1 1 1 15 8  9  o 3.419918       0.4089490     3.585574       0.6447000     3.308387       0.5289955 
1 1 1 15 8  10 o -0.1548772     0.3906951     -0.2032107     0.6012833     -0.1195598     0.5139833 
1 1 1 15 8  11 o 10.07401       0.4166775     9.686180       0.6431453     10.35456       0.5470025 
1 1 1 15 8  12 o 11.82024       0.4070094     11.62807       0.6332248     11.95553       0.5312950 
1 1 1 15 8  13 o 6.041866       0.3302114     5.829592       0.5257089     6.180192       0.4243753 
1 1 1 15 8  14 o 2.312953       0.2471295     2.038841       0.4124178     2.466518       0.3086866 
1 1 1 15 8  15 o 3.083788       0.5332422     2.958447       0.8714511     3.158808       0.6741930 
1 1 1 15 8  16 o 3.045572       0.5175832     3.209569       0.8503721     2.949065       0.6523322 
1 1 1 15 8  17 o 2.316239       0.4953763     3.137688       0.8235890     1.850586       0.6200852 
1 1 1 15 8  18 o 4.803352       0.5054507     4.986088       0.8309803     4.696041       0.6367971 
1 1 1 15 8  19 f 4.044121       0.5248498     4.922165       0.8596513     3.522320       0.6627001 
1 1 1 15 8  20 o 7.513275       0.5624388     7.414839       0.9123183     7.573623       0.7143354 
1 1 1 15 8  21 o 3.539594       0.5337258     2.010362       0.8616109     4.491753       0.6798748 
1 1 1 15 8  22 o 2.558781       0.5272672     2.507821       0.8823130     2.587090       0.6576068 
1 1 1 15 8  23 o 1.587352       0.5307675     1.163786       0.8815796     1.828183       0.6647492 
1 1 1 15 8  24 o 0.3715618      0.6175833     -0.2106160     0.8905677     0.9109037      0.8571783 
1 1 1 15 8  25 o 0.3402132      0.6433014     -0.5625694     0.9425166     1.127577       0.8802075 
1 1 1 15 8  26 o -0.1213753     0.6634865     -0.6432604     0.9857355     0.3109077      0.8971335 
1 1 1 15 8  27 f -0.6951101     0.6805977     -0.2128189     0.9874400     -1.131595      0.9393786 
1 1 1 15 8  28 o 1.873012       0.7086133     2.158527       1.057621      1.640435       0.9545482 
1 1 1 15 8  29 o 0.5845138      0.7325557     0.2168365E-01  1.081342      1.061919       0.9959047 
1 1 1 15 9  0  o 103.9495       1.705270      103.9495       1.205808      ?              ?         
1 1 1 15 9  1  o 103.0532       1.196324      103.8427       1.698150      102.2753       1.685635  
1 1 1 15 9  2  f 33.91247       0.6261168     33.26099       0.8814430     34.57597       0.8895382 
1 1 1 15 9  3  o 28.41100       0.5677036     27.59990       0.8249227     29.14076       0.7824669 
1 1 1 15 9  4  o 17.19639       0.4968857     17.26766       0.7258646     17.13354       0.6816251 
1 1 1 15 9  5  f 34.93493       0.6415421     34.82008       0.9479779     35.03197       0.8714063 
1 1 1 15 9  6  o 0.9009179      0.4334171     1.039304       0.6513814     0.7909746      0.5805961 
1 1 1 15 9  7  o 2.313988       0.4220904     2.329493       0.6139818     2.300094       0.5812168 
1 1 1 15 9  8  o 22.12946       0.5357993     21.79124       0.7892653     22.41856       0.7297042 
1 1 1 15 9  9  f 10.89456       0.4473691     11.62037       0.7003709     10.39430       0.5814475 
1 1 1 15 9  10 o 13.09592       0.4588226     13.32011       0.7081072     12.93368       0.6023844 
1 1 1 15 9  11 o 22.59287       0.5026966     22.54824       0.7764143     22.62509       0.6596203 
1 1 1 15 9  12 o 0.5697020      0.3649400     0.8756532      0.5760139     0.3645422      0.4716859 
1 1 1 15 9  13 o 0.9170549      0.3406914     1.022398       0.5355831     0.8454581      0.4415411 
1 1 1 15 9  14 o 0.6222218      0.2629105     -0.9738519E-02 0.4911402     0.8760458      0.3112626 
1 1 1 15 9  15 f 4.138892       0.2705841     4.831981       0.4611458     3.774971       0.3341545 
1 1 1 15 9  16 o 1.486320       0.5220354     0.5774295      0.8595191     2.017560       0.6571205 
1 1 1 15 9  17 o 1.786830       0.5050571     1.732331       0.8194811     1.820211       0.6413414 
1 1 1 15 9  18 o 3.332186       0.5233411     2.878410       0.8473682     3.612010       0.6654166 
1 1 1 15 9  19 o 5.126095       0.5460902     4.092326       0.8567420     5.833508       0.7087199 
1 1 1 15 9  20 o 0.3136378      0.5337078     0.1508475      0.8865100     0.4061821      0.6684117 
1 1 1 15 9  21 o 0.4497316      0.5461558     -0.3976110     0.8763071     0.9879248      0.6983866 
1 1 1 15 9  22 o 0.4944293E-01  0.5409291     -0.6825924     0.9011597     0.4617684      0.6763256 
1 1 1 15 9  23 f 0.9003216      0.5509535     0.7072052E-01  0.9121569     1.376830       0.6913055 
1 1 1 15 9  24 o 2.726398       0.6456851     3.156169       0.9448172     2.349797       0.8844431 
1 1 1 15 9  25 f 2.832743       0.6690446     2.908599       0.9699754     2.763901       0.9240389 
1 1 1 15 9  26 o 1.231573       0.6883648     0.5399367      1.014729      1.821195       0.9369104 
1 1 1 15 9  27 f 0.3193278E-01  0.7118409     0.3954423      1.033392      -0.2962973     0.9819657 
1 1 1 15 9  28 o -1.328138      0.7010303     -2.200524      1.027600      -0.5686807     0.9587862 
1 1 1 15 9  29 o -0.2281533     0.8105998     -1.172506      1.226383      0.5044912      1.080203  
1 1 1 15 10 0  o 56.97131       1.160110      56.97131       0.8203220     ?              ?         
1 1 1 15 10 1  o 52.56280       0.7604126     52.91903       1.108181      52.24583       1.045340  
1 1 1 15 10 2  o 13.82587       0.4975981     14.01237       0.7273079     13.66175       0.6822693 
1 1 1 15 10 3  o 11.59396       0.4765541     11.49538       0.6971394     11.68044       0.6529294 
1 1 1 15 10 4  o 65.04179       0.8564246     65.02542       1.246261      65.05644       1.178881  
1 1 1 15 10 5  o 96.41965       1.124587      96.28171       1.636294      96.54313       1.548174  
1 1 1 15 10 7  o 151.4811       1.617834      151.9078       2.368914      151.1081       2.214780  
1 1 1 15 10 8  f 126.1519       1.423955      124.4719       2.143880      127.4781       1.904805  
1 1 1 15 10 9  o 60.48208       0.8314148     61.37531       1.277753      59.82620       1.094907  
1 1 1 15 10 10 o 50.64147       0.7474343     50.63606       1.143605      50.64551       0.9875463 
1 1 1 15 10 11 o 12.30360       0.4541165     12.32336       0.6989864     12.28918       0.5973575 
1 1 1 15 10 12 o 5.788118       0.4024900     5.733675       0.6306869     5.825526       0.5227894 
1 1 1 15 10 13 o 3.204539       0.3715723     3.476786       0.5884681     3.024026       0.4791769 
1 1 1 15 10 14 o 0.1906529      0.2827898     -0.1232012     0.5235332     0.3199508      0.3360285 
1 1 1 15 10 15 o 2.090678       0.2797239     2.458574       0.5149173     1.936654       0.3331724 
1 1 1 15 10 16 o 3.200785       0.2589549     3.860733       0.4824032     2.933637       0.3069247 
1 1 1 15 10 17 o 1.081169       0.2550994     1.363996       0.3857306     0.8613066      0.3400936 
1 1 1 15 10 18 o 2.045074       0.5454594     3.006744       0.9093400     1.504583       0.6817226 
1 1 1 15 10 19 f 0.2938341      0.5230658     -0.9966640     0.8636672     1.041368       0.6573295 
1 1 1 15 10 20 o 0.6612241      0.5493528     1.095558       0.8956191     0.3992510      0.6955685 
1 1 1 15 10 21 o 1.080461       0.5909585     1.297353       0.9952475     0.9623454      0.7344502 
1 1 1 15 10 22 o 0.7113797      0.5605084     1.863373       0.9385775     0.7279804E-01  0.6988008 
1 1 1 15 10 23 o 0.3535353      0.6529719     1.021522       0.9531931     -0.2371074     0.8963127 
1 1 1 15 10 24 o 0.5907925      0.6743454     0.7027331      0.9936291     0.4952083      0.9181712 
1 1 1 15 10 25 o 0.8775969      0.7073348     1.556741       1.020008      0.2484634      0.9817342 
1 1 1 15 10 26 o 0.4188567      0.6880776     0.4921010      1.001036      0.3532569      0.9473581 
1 1 1 15 10 27 o -0.5771882E-01 0.7308045     -1.389197      1.074535      1.088213       0.9968575 
1 1 1 15 10 28 o -0.4366024     0.7291125     -0.6499391     1.065827      -0.2489547     0.9995981 
1 1 1 15 11 0  o 14.94221       0.7115536     14.94221       0.5031444     ?              ?         
1 1 1 15 11 1  o 26.02417       0.5858516     25.56823       0.8473158     26.44179       0.8109204 
1 1 1 15 11 2  o 66.01115       0.8760301     66.16271       1.280786      65.87792       1.200861  
1 1 1 15 11 3  o 45.04852       0.7132872     44.86233       1.049926      45.20811       0.9720504 
1 1 1 15 11 4  o 23.96182       0.5718194     25.00105       0.8505461     23.10471       0.7724349 
1 1 1 15 11 5  f 16.42255       0.5179393     16.49250       0.7717037     16.36521       0.6986816 
1 1 1 15 11 6  o 8.853826       0.4818233     9.233584       0.7086065     8.527262       0.6571062 
1 1 1 15 11 7  o 2.472643       0.4426120     2.463875       0.6643695     2.479640       0.5935037 
1 1 1 15 11 8  o 1.101656       0.4519771     1.742987       0.6994502     0.6418747      0.5922309 
1 1 1 15 11 9  o 0.1937950      0.4325030     0.6026446      0.6840733     -0.7847137E-01 0.5582361 
1 1 1 15 11 10 o 1.563797       0.4200273     1.148607       0.6652358     1.839049       0.5416489 
1 1 1 15 11 11 o 0.9411294      0.3986320     0.5549385      0.6533696     1.170130       0.5031255 
1 1 1 15 11 12 f 0.1996175      0.3904578     0.3752708      0.6444026     0.9771535E-01  0.4908184 
1 1 1 15 11 13 o 1.449688       0.3813142     0.8300905      0.6027696     1.863075       0.4923514 
1 1 1 15 11 14 o 0.6040506      0.3131908     0.7693704      0.5813917     0.5364637      0.3717384 
1 1 1 15 11 15 f 1.829780       0.3078995     2.180027       0.5759730     1.689645       0.3643253 
1 1 1 15 11 16 o 3.982028       0.3065864     3.939573       0.5669238     3.999575       0.3644813 
1 1 1 15 11 17 o 1.210413       0.2682847     1.206578       0.5109985     1.211872       0.3152250 
1 1 1 15 11 18 o 0.6957004      0.2747769     0.9471424      0.4677144     0.5631778      0.3395524 
1 1 1 15 11 19 f 0.8330088      0.2752163     0.9778178      0.4162017     0.7204889      0.3668772 
1 1 1 15 11 20 o 4.171029       0.5704884     4.358890       0.9443204     4.063061       0.7158945 
1 1 1 15 11 21 o 1.125014       0.5701801     1.470843       0.9386131     0.9227604      0.7178017 
1 1 1 15 11 22 o 0.5471503      0.5782818     -0.4305637     0.9677144     1.090213       0.7212176 
1 1 1 15 11 23 o 1.101930       0.6687052     1.225026       0.9735194     0.9919672      0.9201221 
1 1 1 15 11 24 o 3.149339       0.7097494     2.339201       1.027542      3.888524       0.9815142 
1 1 1 15 11 25 o 1.424747       0.7267350     1.664282       1.062541      1.214196       0.9961821 
1 1 1 15 11 26 o 1.156254       0.7169526     0.9648755      1.064808      1.314971       0.9697002 
1 1 1 15 11 27 o 0.2859715      0.7256219     0.3179578      1.064148      0.2581746      0.9920142 
1 1 1 15 11 28 f -1.813089      0.8825370     -1.825919      1.371289      -1.804017      1.153075  
1 1 1 15 12 0  o 0.5080258      0.6315537     0.5080258      0.4465759     ?              ?         
1 1 1 15 12 1  o 4.318890       0.4669455     3.777741       0.6682092     4.835339       0.6527822 
1 1 1 15 12 2  o 54.92139       0.7978832     54.09922       1.158674      55.66285       1.100339  
1 1 1 15 12 3  o 106.6373       1.230791      105.4043       1.791416      107.7397       1.693880  
1 1 1 15 12 4  o 112.4319       1.278393      111.9104       1.866827      112.8923       1.754260  
1 1 1 15 12 5  o 54.66552       0.7862595     54.68550       1.164102      54.64876       1.066213  
1 1 1 15 12 6  f 37.21342       0.6553545     38.45296       0.9704901     36.17437       0.8885444 
1 1 1 15 12 7  f 31.25620       0.6258485     32.15843       0.9715094     30.61616       0.8182576 
1 1 1 15 12 8  o 13.85125       0.5045745     13.37847       0.8042427     14.15815       0.6479665 
1 1 1 15 12 9  o 10.38487       0.4813590     10.93543       0.7542129     10.00648       0.6252648 
1 1 1 15 12 10 o 5.225870       0.4416918     6.416408       0.7213743     4.511846       0.5586570 
1 1 1 15 12 11 o 21.87907       0.5353332     23.35750       0.8534493     20.92004       0.6873722 
1 1 1 15 12 12 o 23.36130       0.5363829     24.07218       0.8350463     22.86197       0.6998546 
1 1 1 15 12 13 o 12.13795       0.4501364     12.74455       0.7097554     11.72979       0.5822049 
1 1 1 15 12 14 o 0.8657105      0.3284455     1.380996       0.6075626     0.6529415      0.3904103 
1 1 1 15 12 15 o 1.483859       0.3302559     1.591579       0.6044868     1.438025       0.3943058 
1 1 1 15 12 16 o 2.244080       0.3177603     1.877058       0.5975521     2.388786       0.3752090 
1 1 1 15 12 17 o 1.195204       0.3060759     1.215929       0.5901686     1.187578       0.3579827 
1 1 1 15 12 18 o 2.771283       0.3038110     2.933176       0.5752153     2.708648       0.3577870 
1 1 1 15 12 19 o 1.224729       0.3187972     0.7572770      0.5382164     1.477370       0.3956766 
1 1 1 15 12 20 f 3.172112       0.3237922     3.149764       0.5533147     3.183750       0.3993005 
1 1 1 15 12 21 o 4.115161       0.3248515     3.649879       0.5266088     4.400981       0.4127397 
1 1 1 15 12 22 o 3.494854       0.3490218     4.078097       0.5167602     3.005623       0.4732831 
1 1 1 15 12 23 o 0.6015975      0.3259407     0.7656252      0.4588643     0.4345537      0.4630639 
1 1 1 15 12 24 o 1.138368       0.3995746     1.716439       0.7089495     0.8692474      0.4837246 
1 1 1 15 12 25 o 1.324501       0.4221126     1.629936       1.069112      1.268094       0.4594393 
1 1 1 15 12 26 o 1.150358       0.7794676     1.075929       1.079224      1.231522       1.126994  
1 1 1 15 12 27 f -0.5212873E-01 0.4156786     -0.2186366     1.100454      -0.2441695E-01 0.4489385 
1 1 1 15 13 0  o 41.44603       0.9630225     41.44603       0.6809597     ?              ?         
1 1 1 15 13 1  o 58.80585       0.8095360     57.40162       1.139180      60.23842       1.150619  
1 1 1 15 13 2  f 31.31506       0.6116009     31.70203       0.8588286     30.91688       0.8711720 
1 1 1 15 13 3  o 0.5167696      0.4783482     0.4998814      0.7028303     0.5313435      0.6528990 
1 1 1 15 13 4  f 34.39688       0.6520720     34.94237       0.9662460     33.94069       0.8836214 
1 1 1 15 13 5  o 62.49035       0.8514374     62.66790       1.249297      62.33635       1.163504  
1 1 1 15 13 6  o 37.32817       0.6567528     36.74873       0.9664300     37.82536       0.8952286 
1 1 1 15 13 7  o 15.80275       0.5265654     14.55314       0.8146543     16.69946       0.6901008 
1 1 1 15 13 8  o 4.976807       0.4705555     5.721374       0.7504421     4.494383       0.6040594 
1 1 1 15 13 9  o -0.1769547     0.4445539     0.8624204E-01  0.7197526     -0.3392911     0.5652635 
1 1 1 15 13 10 o 6.429557       0.4581694     7.004735       0.7265550     6.049825       0.5903456 
1 1 1 15 13 11 o 2.193507       0.4382486     2.221162       0.6964230     2.175376       0.5638999 
1 1 1 15 13 12 o 1.385110       0.4265885     1.670776       0.6804665     1.200148       0.5475437 
1 1 1 15 13 13 o 6.095356       0.4452314     5.588224       0.6842753     6.467685       0.5863183 
1 1 1 15 13 14 o 3.806787       0.4116044     3.907380       0.6656561     3.744515       0.5237313 
1 1 1 15 13 15 o 2.021744       0.3523736     2.642850       0.6268816     1.734850       0.4260528 
1 1 1 15 13 16 o 1.431132       0.3367791     1.159816       0.6166136     1.546476       0.4020422 
1 1 1 15 13 17 o 2.354569       0.3450961     2.040805       0.6408314     2.482724       0.4095528 
1 1 1 15 13 18 o 0.8386261      0.3245462     0.7896770      0.6105621     0.8579034      0.3831601 
1 1 1 15 13 19 o 1.138791       0.3245355     1.720697       0.6050357     0.9037407      0.3845346 
1 1 1 15 13 20 o 0.3156441      0.3509463     0.6111519E-01  0.6000643     0.4479649      0.4326565 
1 1 1 15 13 21 o 0.1617421      0.3453523     2.047421       0.6250242     -0.6669696     0.4143475 
1 1 1 15 13 22 o 1.750153       0.3566402     2.378915       0.6076958     1.419822       0.4404710 
1 1 1 15 13 23 o -0.8573604E-01 0.3710672     -0.8702411E-01 0.5920672     -0.8490282E-01 0.4761940 
1 1 1 15 13 24 o -0.3821643     0.3712920     -0.2148474     0.5873522     -0.4935268     0.4791793 
1 1 1 15 13 25 o 0.3015311      0.3752975     0.8847899      0.5786486     -0.1219580     0.4930664 
1 1 1 15 13 26 o 0.3762524      0.3793708     -0.1760882     0.5678194     0.8216059      0.5098696 
1 1 1 15 14 0  o 2.257685       0.6533796     2.257685       0.4620092     ?              ?         
1 1 1 15 14 1  o 23.19407       0.5593314     22.79966       0.7759657     23.62064       0.8069732 
1 1 1 15 14 2  o 82.53658       1.000274      80.84532       1.409573      84.25219       1.419685  
1 1 1 15 14 3  o 106.7998       1.208352      106.0804       1.712026      107.5139       1.705727  
1 1 1 15 14 4  o 51.18064       0.7729612     49.97481       1.135178      52.22301       1.055437  
1 1 1 15 14 5  o 10.36884       0.4869876     9.994442       0.7262530     10.67472       0.6564360 
1 1 1 15 14 6  o 3.525501       0.4787104     3.782437       0.7465846     3.346111       0.6238298 
1 1 1 15 14 7  o 4.555313       0.4675373     3.698900       0.7363052     5.133901       0.6052024 
1 1 1 15 14 8  o 5.076419       0.4690711     4.955495       0.7596204     5.150948       0.5963537 
1 1 1 15 14 9  o 1.387848       0.4525203     0.8096444      0.7429314     1.728893       0.5705768 
1 1 1 15 14 10 f 5.623368       0.4595956     5.350277       0.7310426     5.801850       0.5909981 
1 1 1 15 14 11 o 9.354580       0.4690116     9.303528       0.7516126     9.387136       0.6002053 
1 1 1 15 14 12 o 13.95808       0.4939268     13.70430       0.7694054     14.13598       0.6441917 
1 1 1 15 14 13 o 10.47733       0.4642510     10.70857       0.7214631     10.31391       0.6065006 
1 1 1 15 14 14 o 4.204839       0.4220185     3.747324       0.6634488     4.515768       0.5469337 
1 1 1 15 14 15 o 2.006937       0.3721533     2.328256       0.6718497     1.864705       0.4469947 
1 1 1 15 14 16 o 2.307171       0.3619325     1.664071       0.6708159     2.571257       0.4298692 
1 1 1 15 14 17 o 5.247479       0.3811141     5.605003       0.6860199     5.087880       0.4583523 
1 1 1 15 14 18 o 6.164405       0.4051856     5.594812       0.6966211     6.455628       0.4981116 
1 1 1 15 14 19 o 7.067060       0.3788121     7.495192       0.6826826     6.876593       0.4553438 
1 1 1 15 14 20 o 3.037688       0.3617478     3.050652       0.6601975     3.032126       0.4324445 
1 1 1 15 14 21 o 1.120649       0.3890537     0.3767954      0.6604171     1.516001       0.4814675 
1 1 1 15 14 22 o 0.1025778      0.3862683     -0.3352252     0.6622170     0.3283478      0.4755477 
1 1 1 15 14 23 o 0.9460329      0.4066272     1.078021       0.6791015     0.8722628      0.5077006 
1 1 1 15 14 24 o 1.361378       0.4263497     1.768281       0.6678573     1.081484       0.5539040 
1 1 1 15 14 25 o 0.5774459      0.4314483     0.9042423      0.6766914     0.3536030      0.5600460 
1 1 1 15 15 0  o 3.355707       0.6591495     3.355707       0.4660891     ?              ?         
1 1 1 15 15 1  o 6.304276       0.4805720     5.635609       0.6811264     6.967105       0.6781462 
1 1 1 15 15 2  o 8.578671       0.4854117     8.482782       0.6839879     8.675968       0.6889912 
1 1 1 15 15 3  o 12.07003       0.4954246     11.96294       0.7180883     12.16731       0.6843978 
1 1 1 15 15 4  o 10.99249       0.4903002     11.22222       0.7048699     10.77714       0.6824518 
1 1 1 15 15 5  o 14.85518       0.5395631     14.67314       0.8354359     14.98544       0.7067269 
1 1 1 15 15 6  f -0.4408466     0.4670130     0.6626186      0.7299761     -1.205442      0.6076383 
1 1 1 15 15 7  o 9.506392       0.4926014     10.37023       0.7757131     8.922626       0.6376823 
1 1 1 15 15 8  o 13.52448       0.5160676     13.54028       0.8115951     13.51376       0.6686566 
1 1 1 15 15 9  o 12.49155       0.5053692     12.38247       0.8038092     12.56285       0.6498809 
1 1 1 15 15 10 o 7.621387       0.4759982     6.429430       0.7482193     8.431771       0.6169415 
1 1 1 15 15 11 o 6.012575       0.4672350     6.542565       0.7494701     5.675643       0.5975738 
1 1 1 15 15 12 o 0.5805287      0.4408136     -0.6233521E-01 0.7080827     0.9873459      0.5632797 
1 1 1 15 15 13 o 2.514683       0.4370672     2.913034       0.6980684     2.257838       0.5605327 
1 1 1 15 15 14 o 10.86449       0.4685810     10.65350       0.7439283     11.00325       0.6032993 
1 1 1 15 15 15 o 6.156655       0.4021690     6.829813       0.7014151     5.826969       0.4908703 
1 1 1 15 15 16 o 1.718165       0.3811445     2.316244       0.6841852     1.449040       0.4589558 
1 1 1 15 15 17 f 1.133744       0.3898429     1.274025       0.7296062     1.077691       0.4611983 
1 1 1 15 15 18 o 0.4342270      0.3689449     0.7412548E-01  0.6707656     0.5904290      0.4417755 
1 1 1 15 15 19 o 0.1921230      0.3826777     0.5835021      0.7010416     0.2600255E-01  0.4567269 
1 1 1 15 15 20 o 1.561290       0.3729595     1.248351       0.6881031     1.691467       0.4438033 
1 1 1 15 15 21 o -0.9337883E-01 0.4019295     -0.8420432     0.6989480     0.2765042      0.4912850 
1 1 1 15 15 22 o -0.1900755     0.4118953     -1.192765      0.6959346     0.3505401      0.5110102 
1 1 1 15 15 23 f 0.4439126      0.4385897     0.9227313      0.7257205     0.1684010      0.5504953 
1 1 1 15 15 24 f 0.2515653      0.4335963     -0.4607807E-01 0.7348038     0.4105699      0.5370667 
1 1 1 15 15 25 o 0.2521823      0.4559284     -0.6793817     0.7163048     0.8866218      0.5911350 
1 1 1 15 16 0  o 6.705863       0.6840336     6.705863       0.4836848     ?              ?         
1 1 1 15 16 1  o 4.230833       0.4631455     4.542012       0.6767848     3.956747       0.6351676 
1 1 1 15 16 2  o 15.07414       0.5509647     13.49439       0.8250445     16.34570       0.7402049 
1 1 1 15 16 3  o 11.61820       0.4952258     11.07493       0.7096469     12.13392       0.6914191 
1 1 1 15 16 4  o 11.43508       0.4851240     11.23634       0.6915184     11.62768       0.6807461 
1 1 1 15 16 5  o 2.350044       0.4566619     2.518540       0.6779487     2.210091       0.6178606 
1 1 1 15 16 6  o 9.660480       0.5128250     9.823275       0.8050997     9.549335       0.6652394 
1 1 1 15 16 7  o 21.55702       0.5712020     21.51884       0.8881217     21.58395       0.7459534 
1 1 1 15 16 8  o 20.44273       0.5642832     19.75509       0.8594170     20.96382       0.7481390 
1 1 1 15 16 9  o 12.84183       0.5089270     12.52925       0.7973375     13.05672       0.6611145 
1 1 1 15 16 10 f 3.331123       0.4604701     2.532229       0.7283289     3.863081       0.5943219 
1 1 1 15 16 11 f 4.230806       0.4661528     4.733203       0.7400702     3.900393       0.6001746 
1 1 1 15 16 12 o 11.25521       0.5002880     11.43498       0.7958398     11.13775       0.6432872 
1 1 1 15 16 13 o 10.25111       0.4915185     10.04890       0.7743242     10.38757       0.6361050 
1 1 1 15 16 14 o 3.856229       0.7262469     1.862570       0.8401856     9.747869       1.444335  
1 1 1 15 16 15 f 0.5214669      0.3915617     1.175024       0.7020899     0.2264113      0.4717402 
1 1 1 15 16 16 f 0.1205570      0.3956386     0.4920938      0.7024238     -0.5208159E-01 0.4788143 
1 1 1 15 16 17 o 1.891372       0.3955694     2.413700       0.7333888     1.677071       0.4697596 
1 1 1 15 16 18 o 6.096095       0.4296297     6.407688       0.7571073     5.948102       0.5217754 
1 1 1 15 16 19 f 5.145959       0.4259671     6.110226       0.7649588     4.712573       0.5128344 
1 1 1 15 16 20 o 2.034542       0.4076974     2.591446       0.7570164     1.807024       0.4838631 
1 1 1 15 16 21 o 0.7313275      0.4098884     0.5825879      0.7689613     0.7903636      0.4844508 
1 1 1 15 16 22 o 0.1074805      0.4417383     0.3433870      0.7671671     -0.9529148E-02 0.5402949 
1 1 1 15 16 23 o 1.003321       0.4704523     1.072760       0.7674663     0.9615223      0.5954434 
1 1 1 15 16 24 f -0.2731681     0.4615606     -0.6386274     0.7594001     -0.5907006E-01 0.5812426 
1 1 1 15 17 0  o -0.4229916     0.6662086     -0.4229916     0.4710806     ?              ?         
1 1 1 15 17 1  o 7.517900       0.4780686     6.663542       0.6806826     8.349587       0.6715913 
1 1 1 15 17 2  f 26.38095       0.5861473     25.28679       0.8227350     27.50874       0.8352824 
1 1 1 15 17 3  o 60.52278       0.8324459     60.22977       1.173796      60.81927       1.180747  
1 1 1 15 17 4  o 85.87592       1.069031      88.77847       1.578238      83.41516       1.453171  
1 1 1 15 17 5  o 51.93186       0.7929851     52.51055       1.166854      51.43523       1.080965  
1 1 1 15 17 6  o 20.38047       0.5548939     21.30457       0.8282239     19.62781       0.7474539 
1 1 1 15 17 7  o 9.300026       0.5125573     9.559525       0.8036212     9.122067       0.6654912 
1 1 1 15 17 8  o 1.959355       0.4724384     2.041183       0.7593071     1.907666       0.6034768 
1 1 1 15 17 9  o 6.966864       0.4985069     8.324679       0.7766620     6.015539       0.6500936 
1 1 1 15 17 10 o 12.32013       0.5200703     12.93716       0.8170105     11.89978       0.6743361 
1 1 1 15 17 11 o 10.59909       0.5152786     10.80125       0.8141453     10.46399       0.6655390 
1 1 1 15 17 12 o 6.131888       0.5465984     5.082131       0.8800877     6.791085       0.6974115 
1 1 1 15 17 13 f 3.109818       0.4736674     2.625197       0.7380599     3.449204       0.6176440 
1 1 1 15 17 14 o 2.399240       0.4266535     2.189909       0.7453281     2.501267       0.5203418 
1 1 1 15 17 15 o 1.733896       0.4206903     1.189984       0.7066795     2.032459       0.5235727 
1 1 1 15 17 16 o 6.264133       0.4464280     6.837277       0.8027178     6.007478       0.5371630 
1 1 1 15 17 17 o 6.196366       0.4350286     7.237587       0.7790982     5.724663       0.5243905 
1 1 1 15 17 18 o 3.840547       0.4329442     3.614685       0.7524781     3.952315       0.5293352 
1 1 1 15 17 19 o 2.308209       0.4331442     2.941754       0.7806748     2.026438       0.5206300 
1 1 1 15 17 20 o 2.573397       0.4307548     3.138117       0.7887287     2.333367       0.5142142 
1 1 1 15 17 21 o 0.9825758      0.4424641     0.1443640      0.7951771     1.358494       0.5325174 
1 1 1 15 17 22 o 0.3425981      0.4335838     0.2673218      0.7857682     0.3755519      0.5198977 
1 1 1 15 17 23 o 0.4580628E-01  0.4973182     -0.7080399     0.8258558     0.4746999      0.6229277 
1 1 1 15 18 0  o 4.173460       0.6883409     4.173460       0.4867305     ?              ?         
1 1 1 15 18 1  o 2.256679       0.4721392     2.190130       0.6710090     2.321934       0.6644505 
1 1 1 15 18 2  o 4.706786       0.4794079     4.907088       0.6707099     4.497551       0.6855025 
1 1 1 15 18 3  o 6.705019       0.4978264     6.994227       0.7165398     6.435158       0.6921587 
1 1 1 15 18 4  o 1.368230       0.4871238     1.766032       0.7218961     1.035674       0.6600456 
1 1 1 15 18 5  o 1.282409       0.4731664     1.135162       0.7068431     1.401965       0.6369225 
1 1 1 15 18 6  o 0.5127696      0.4767974     0.4263766      0.7090790     0.5840701      0.6441712 
1 1 1 15 18 7  o 3.080811       0.4918556     3.770648       0.7439471     2.545119       0.6555806 
1 1 1 15 18 8  o 7.518224       0.5210216     7.688410       0.8133115     7.399768       0.6785371 
1 1 1 15 18 9  o 5.706146       0.5184439     7.053071       0.8198044     4.808461       0.6692686 
1 1 1 15 18 10 o 3.163765       0.5066724     3.265950       0.8044431     3.096573       0.6523208 
1 1 1 15 18 11 o 2.143971       0.4868117     2.602251       0.7774027     1.848341       0.6243895 
1 1 1 15 18 12 o 1.729652       0.5122148     1.248766       0.8110562     2.048701       0.6606300 
1 1 1 15 18 13 o -0.1740345     0.4786077     -0.7446615     0.7631824     0.1958508      0.6144489 
1 1 1 15 18 14 o 1.433426       0.4358794     1.434725       0.7490717     1.432761       0.5359620 
1 1 1 15 18 15 f 1.416610       0.4539601     1.557741       0.7813189     1.344687       0.5577652 
1 1 1 15 18 16 o 0.1091479      0.4399216     0.1621404      0.7435660     0.8060905E-01  0.5456703 
1 1 1 15 18 17 o 2.277053       0.4472919     2.549991       0.7927160     2.149565       0.5417765 
1 1 1 15 18 18 o 3.184069       0.4655007     3.302232       0.8188576     3.127651       0.5658206 
1 1 1 15 18 19 o 2.878494       0.4496082     3.651619       0.8143672     2.539515       0.5392400 
1 1 1 15 18 20 o 0.4828036      0.4491048     0.4549738      0.8234780     0.4945854      0.5358019 
1 1 1 15 18 21 o 1.321659       0.4559970     1.922226       0.8553344     1.083189       0.5389788 
1 1 1 15 18 22 f 1.211299       0.4866741     0.3141991      0.9350861     1.544582       0.5699517 
1 1 1 15 19 0  o 11.83200       0.7360426     11.83200       0.5204607     ?              ?         
1 1 1 15 19 1  o 5.078379       0.4921620     5.605315       0.6895043     4.531035       0.7027286 
1 1 1 15 19 2  o 3.638879       0.4968556     4.013919       0.7522157     3.348612       0.6617628 
1 1 1 15 19 3  o 2.211718       0.4951971     1.756901       0.7184895     2.623259       0.6834524 
1 1 1 15 19 4  o 4.359900       0.5054185     5.639885       0.7608433     3.348971       0.6761656 
1 1 1 15 19 5  f 10.09024       0.5172532     10.56784       0.7689672     9.695552       0.6990361 
1 1 1 15 19 6  f 13.76002       0.5428375     13.68322       0.8073124     13.82340       0.7333786 
1 1 1 15 19 7  o 19.62833       0.5869178     19.10431       0.8812951     20.04597       0.7867776 
1 1 1 15 19 8  f 12.71032       0.5436887     12.63277       0.7992253     12.77711       0.7417694 
1 1 1 15 19 9  o 9.408311       0.5624362     9.297835       0.8920696     9.481200       0.7246006 
1 1 1 15 19 10 o 6.136703       0.5318441     5.940437       0.8361750     6.270048       0.6892272 
1 1 1 15 19 11 o 2.464804       0.5250979     2.514985       0.8202226     2.429955       0.6835281 
1 1 1 15 19 12 o 0.3845760      0.5029470     0.3983999      0.7782021     0.3746600      0.6590936 
1 1 1 15 19 13 o 2.451797       0.5272737     1.804438       0.8146787     2.918441       0.6916826 
1 1 1 15 19 14 f -0.5155127     0.4596534     -1.040316      0.7749687     -0.2306877     0.5709198 
1 1 1 15 19 15 o 4.285568       0.4796485     5.553930       0.8329165     3.656259       0.5866945 
1 1 1 15 19 16 o 7.235446       0.5009454     7.218396       0.8595566     7.244216       0.6164579 
1 1 1 15 19 17 o 4.343221       0.5970902     4.339905       0.8074237     4.347224       0.8870013 
1 1 1 15 19 18 f -0.2120159     0.4736643     -0.7544554     0.8406375     0.4031087E-01  0.5733433 
1 1 1 15 19 19 o -0.6001274     0.4813654     -1.826292      0.8510407     -0.2330572E-01 0.5837094 
1 1 1 15 19 20 o -0.4934453     0.4741697     -0.4515270     0.8396649     -0.5130720     0.5745511 
1 1 1 15 20 0  o 0.2104238      0.6876388     0.2104238      0.4862340     ?              ?         
1 1 1 15 20 1  f 2.285330       0.4989770     1.829718       0.7312868     2.682239       0.6825514 
1 1 1 15 20 2  o 4.938502       0.5201563     5.064199       0.7679480     4.831953       0.7070444 
1 1 1 15 20 3  o 3.724426       0.5018256     3.675581       0.7578114     3.762572       0.6697046 
1 1 1 15 20 4  o -0.2537006     0.4978292     -0.4744844     0.7282863     -0.6005557E-01 0.6820586 
1 1 1 15 20 5  o 1.116459       0.5084012     1.850073       0.7584333     0.5178205      0.6851190 
1 1 1 15 20 6  o 2.476970       0.4939289     1.932354       0.7396685     2.915269       0.6635554 
1 1 1 15 20 7  o 4.998023       0.5257143     5.213953       0.7870097     4.824039       0.7064433 
1 1 1 15 20 8  o 5.895910       0.5248122     6.488986       0.7771232     5.398639       0.7115919 
1 1 1 15 20 9  o 7.410223       0.5343959     7.913037       0.8014262     7.007668       0.7170874 
1 1 1 15 20 10 o 3.080374       0.5361500     2.754907       0.8194019     3.324038       0.7089880 
1 1 1 15 20 11 o 1.074304       0.5339423     -0.2871417E-01 0.8374476     1.829820       0.6930880 
1 1 1 15 20 12 f 2.413351       0.5333787     2.520810       0.8507410     2.343755       0.6846498 
1 1 1 15 20 13 o 0.7830516      0.5372730     1.792270       0.8287703     0.5144731E-01  0.7056344 
1 1 1 15 20 14 o 5.121412       0.5106024     4.411966       0.8556709     5.513734       0.6363091 
1 1 1 15 20 15 o 2.547052       0.4938355     2.666510       0.8306333     2.481744       0.6141665 
1 1 1 15 20 16 o 0.6579621      0.4856465     0.8337251      0.8296691     0.5663503      0.5989860 
1 1 1 15 20 17 o 1.755301       0.4944515     1.793451       0.8635268     1.736692       0.6031087 
1 1 1 15 20 18 f 3.826207       0.4966494     3.713999       0.8617638     3.882010       0.6077260 
1 1 1 15 20 19 o 1.915866       0.5138026     3.374703       0.9051834     1.222405       0.6240855 
1 1 1 15 21 0  o 2.250156       0.6994278     2.250156       0.4945702     ?              ?         
1 1 1 15 21 1  f 1.911005       0.5131407     1.865152       0.7565047     1.950081       0.6983591 
1 1 1 15 21 2  f 0.8426974      0.5250370     0.8038055      0.7883289     0.8737013      0.7038591 
1 1 1 15 21 3  f 1.244956       0.5222487     2.116321       0.7940990     0.5808244      0.6932690 
1 1 1 15 21 4  o 2.351543       0.5265960     2.447445       0.7833349     2.272467       0.7113035 
1 1 1 15 21 5  f 0.8494102      0.5265763     0.2338371      0.7823127     1.359336       0.7120231 
1 1 1 15 21 6  o 2.005301       0.5190512     2.265892       0.7784402     1.796696       0.6964781 
1 1 1 15 21 7  f 2.163642       0.5314005     1.300413       0.7971504     2.854071       0.7129132 
1 1 1 15 21 8  f 1.299856       0.5321897     1.096750       0.7953607     1.464508       0.7161204 
1 1 1 15 21 9  o 2.024124       0.5322776     2.955043       0.7892910     1.247622       0.7208628 
1 1 1 15 21 10 o 1.975276       0.5449506     1.336346       0.8416116     2.436559       0.7151036 
1 1 1 15 21 11 o 1.936767       0.5634282     1.783372       0.8746496     2.045568       0.7366255 
1 1 1 15 21 12 o 1.600637       0.5523152     1.584747       0.8514003     1.612182       0.7257446 
1 1 1 15 21 13 o 2.280616       0.5697334     2.253916       0.8775784     2.300067       0.7490493 
1 1 1 15 21 14 o 1.588571       0.5349324     1.559134       0.9209132     1.603562       0.6571690 
1 1 1 15 21 15 o 2.678757       0.5329489     2.003574       0.8677889     3.087640       0.6753089 
1 1 1 15 21 16 o 3.218514       0.5229436     1.719877       0.8897603     4.009385       0.6463649 
1 1 1 15 21 17 o 2.052861       0.5197244     2.957554       0.9044108     1.606805       0.6350529 
1 1 1 15 22 0  o 0.9318514      0.7955914     0.9318514      0.5625681     ?              ?         
1 1 1 15 22 1  o 2.389811       0.5561949     3.156516       0.8354141     1.779404       0.7454140 
1 1 1 15 22 2  f 0.9432679      0.5264362     0.8691466      0.7671774     1.009228       0.7237090 
1 1 1 15 22 3  o 1.451759       0.5423175     1.355243       0.8276752     1.524369       0.7178929 
1 1 1 15 22 4  o 2.000539       0.5457317     1.824068       0.8008244     2.153546       0.7456847 
1 1 1 15 22 5  o 2.536278       0.5496827     1.444581       0.8161264     3.442700       0.7436554 
1 1 1 15 22 6  o 0.3552638      0.5537074     0.8572928E-01  0.8146815     0.5866662      0.7548571 
1 1 1 15 22 7  o 0.7594636      0.5425673     0.4345908      0.7935447     1.044659       0.7435091 
1 1 1 15 22 8  o 1.000091       0.5573841     2.309815       0.8372831     -0.4226803E-01 0.7469491 
1 1 1 15 22 9  f 0.5492547      0.5340558     0.5704721      0.7999387     0.5321931      0.7173336 
1 1 1 15 22 10 o 0.7997947      0.5597443     1.316610       0.8506122     0.4050737      0.7433767 
1 1 1 15 22 11 f 2.835436       0.5833718     2.665776       0.9037447     2.956627       0.7638196 
1 1 1 15 22 12 o 2.079156       0.5749288     2.180937       0.8867035     2.005329       0.7551843 
1 1 1 15 22 13 o 1.070046       0.5833762     -1.174389      0.8904487     2.757833       0.7721723 
1 1 1 15 22 14 o 0.6023215      0.5307964     0.1284079E-01  0.8910019     0.9266142      0.6608645 
1 1 1 15 22 15 o -0.8248566E-01 0.5282885     -0.1446990     0.8893803     -0.4856744E-01 0.6566930 
1 1 1 15 23 0  o 11.52120       0.8644825     11.52120       0.6112815     ?              ?         
1 1 1 15 23 1  o 9.043877       0.6249087     9.187057       0.8938766     8.907002       0.8739684 
1 1 1 15 23 2  o 5.758981       0.5771734     5.024250       0.8746541     6.325699       0.7681671 
1 1 1 15 23 3  o 3.831704       0.5689074     4.490201       0.8510447     3.299715       0.7649391 
1 1 1 15 23 4  o 3.214405       0.5846449     3.041406       0.8608050     3.362542       0.7965536 
1 1 1 15 23 5  o 2.586896       0.5655888     2.118191       0.8239328     3.004570       0.7777870 
1 1 1 15 23 6  o 3.323992       0.5809557     3.212903       0.8595170     3.417431       0.7882875 
1 1 1 15 23 7  o 1.571694       0.5787352     2.009758       0.8947936     1.256649       0.7588218 
1 1 1 15 23 8  o 0.6424134      0.5697197     0.3122025      0.8255860     0.9426278      0.7871951 
1 1 1 15 23 9  o -0.5619133     0.5700456     -1.414782      0.8303754     0.1982712      0.7839580 
1 1 1 15 23 10 o -0.2861044     0.5659209     -0.1731808     0.8391838     -0.3802948     0.7664223 
1 1 1 15 23 11 f 1.003102       0.5637994     1.270585       0.8192294     0.7624210      0.7771031 
1 1 1 15 23 12 o 0.4026615      0.5879512     0.9950822      0.8812253     -0.7263546E-01 0.7893224 
1 1 1 15 23 13 o 0.2711223      0.5957879     0.2045658      0.8972645     0.3236085      0.7967972 
1 1 1 15 24 0  o 1.984905       0.8608282     1.984905       0.6086975     ?              ?         
1 1 1 15 24 1  o 2.051873       0.6173607     2.791377       0.8788613     1.331513       0.8674110 
1 1 1 15 24 2  o 2.887209       0.6292581     3.427584       0.9173890     2.407064       0.8647525 
1 1 1 15 24 3  o 6.435460       0.5987664     6.135391       0.8820608     6.691905       0.8154263 
1 1 1 15 24 4  f 6.829597       0.6088479     6.603160       0.9159476     7.008853       0.8149555 
1 1 1 15 24 5  f 3.195521       0.6085261     2.607897       0.9131346     3.664980       0.8161763 
1 1 1 15 24 6  o 1.038345       0.5818695     0.1111970      0.8481615     1.862666       0.7997465 
1 1 1 15 24 7  o -0.3617844     0.5940728     -0.4861759     0.8871454     -0.2606553     0.7999030 
1 1 1 15 24 8  o 0.1828799      0.5898819     0.6159235      0.8946050     -0.1502241     0.7846131 
1 1 1 15 24 9  o 0.5802829      0.5834908     0.9911826      0.8524617     0.2180746      0.8003615 
1 1 1 15 24 10 o 2.863532       0.5952108     2.190870       0.8793771     3.432247       0.8085824 
1 1 1 15 25 0  o 0.5751368      0.9197071     0.5751368      0.6503311     ?              ?         
1 1 1 15 25 1  o 1.308667       0.6391320     0.7028968      0.9020455     1.919361       0.9057038 
1 1 1 15 25 2  o 2.351301       0.6331726     2.555021       0.9127008     2.162294       0.8791253 
1 1 1 15 25 3  o 1.796540       0.6382656     1.978357       0.8834476     1.598016       0.9231482 
1 1 1 15 25 4  o 0.9334275      0.6054072     0.8842748      0.9123958     0.9720914      0.8092116 
1 1 1 15 25 5  o 0.2090772      0.6087836     0.3666182      0.9090400     0.8096042E-01  0.8197646 
1 1 1 15 25 6  o -0.5184265     0.6072891     -0.4153787E-01 0.8848690     -0.9430513     0.8349743 
1 1 1 16 0  0  o 9.305488       0.8216557     9.305488       0.5809983     ?              ?         
1 1 1 16 0  1  o 3.091686       0.5549143     3.091686       0.3923837     ?              ?         
1 1 1 16 0  2  o 37.23322       0.8859403     37.23322       0.6264544     ?              ?         
1 1 1 16 0  3  o 23.11473       0.7243885     23.11473       0.5122200     ?              ?         
1 1 1 16 0  4  f 26.95666       0.7579164     26.95666       0.5359278     ?              ?         
1 1 1 16 0  5  o 18.98185       0.6691721     18.98185       0.4731761     ?              ?         
1 1 1 16 0  6  o 58.40371       1.063402      58.40371       0.7519387     ?              ?         
1 1 1 16 0  7  o 69.87029       1.207088      69.87029       0.8535403     ?              ?         
1 1 1 16 0  8  o 51.38879       0.9774421     51.38879       0.6911559     ?              ?         
1 1 1 16 0  9  f 2.332759       0.4612578     2.332759       0.3261585     ?              ?         
1 1 1 16 0  10 o 2.990815       0.4425670     2.990815       0.3129421     ?              ?         
1 1 1 16 0  11 o 11.00911       0.5047790     11.00911       0.3569326     ?              ?         
1 1 1 16 0  12 o 1.868195       0.4176943     1.868195       0.2953545     ?              ?         
1 1 1 16 0  13 o 1.349456       0.4395800     1.349456       0.3108300     ?              ?         
1 1 1 16 0  14 o 3.298620       0.4279417     3.298620       0.3026005     ?              ?         
1 1 1 16 0  15 o 0.2642474      0.4000068     0.2642474      0.2828476     ?              ?         
1 1 1 16 0  16 o 0.2683986      0.3800824     0.2683986      0.2687589     ?              ?         
1 1 1 16 0  17 o 4.717644       0.3852197     4.717644       0.2723914     ?              ?         
1 1 1 16 0  18 o 8.071491       0.4017689     8.071491       0.2840935     ?              ?         
1 1 1 16 0  19 o 10.29310       0.4204701     10.29310       0.2973172     ?              ?         
1 1 1 16 0  20 o 1.202294       0.2955808     1.202294       0.2090072     ?              ?         
1 1 1 16 0  21 o 0.8252923      0.2843584     0.8252923      0.2010717     ?              ?         
1 1 1 16 0  22 o 0.6950092E-01  0.2769444     0.6950092E-01  0.1958292     ?              ?         
1 1 1 16 0  23 o 0.2920539      0.2548833     0.2920539      0.1802297     ?              ?         
1 1 1 16 0  24 o 0.2166494      0.2669158     0.2166494      0.1887380     ?              ?         
1 1 1 16 0  25 o 0.7357814      0.2869138     0.7357814      0.2028787     ?              ?         
1 1 1 16 0  26 o 0.1193449      0.3061424     0.1193449      0.2164754     ?              ?         
1 1 1 16 0  27 o 2.203848       0.3424754     2.203848       0.2421667     ?              ?         
1 1 1 16 0  28 o 2.353612       0.3660961     2.353612       0.2588690     ?              ?         
1 1 1 16 0  29 o 0.8289397      0.3784222     0.8289397      0.2675849     ?              ?         
1 1 1 16 0  30 o -0.1743534E-01 0.3887500     -0.1743534E-01 0.2748877     ?              ?         
1 1 1 16 1  0  o 15.14569       0.6361532     15.14569       0.4498283     ?              ?         
1 1 1 16 1  1  o 57.90010       0.7980353     56.94234       1.124205      58.87297       1.133032  
1 1 1 16 1  2  o 50.76383       0.7330275     50.93011       1.035336      50.59668       1.037984  
1 1 1 16 1  3  f 48.30629       0.7110251     49.39786       1.013439      47.24811       0.9978256 
1 1 1 16 1  4  f 24.09774       0.4913244     23.86301       0.6762431     24.36018       0.7150556 
1 1 1 16 1  5  o 21.79883       0.4751851     21.60527       0.6505517     22.02021       0.6957492 
1 1 1 16 1  6  o 19.71195       0.4622202     19.67958       0.6376042     19.74780       0.6710324 
1 1 1 16 1  7  o 19.00716       0.4365957     19.17647       0.6298495     18.85056       0.6057353 
1 1 1 16 1  8  o 17.72914       0.4279238     17.80545       0.6066701     17.65358       0.6036921 
1 1 1 16 1  9  f 16.97809       0.4257666     17.85487       0.5901183     16.02613       0.6148957 
1 1 1 16 1  10 o 22.43457       0.4457693     22.32202       0.6332304     22.54514       0.6276327 
1 1 1 16 1  11 o 4.828928       0.3216010     4.709034       0.4708427     4.933779       0.4403155 
1 1 1 16 1  12 o 9.265918       0.3353400     9.608237       0.4899354     8.964196       0.4599667 
1 1 1 16 1  13 o 5.099898       0.3298561     5.090751       0.4730869     5.108552       0.4601558 
1 1 1 16 1  14 f 6.127742       0.3145987     6.135308       0.4521058     6.120639       0.4380467 
1 1 1 16 1  15 o 8.062932       0.3145229     8.167893       0.4426861     7.955939       0.4469497 
1 1 1 16 1  16 f 15.01124       0.3580397     14.82605       0.5055856     15.19755       0.5071070 
1 1 1 16 1  17 o 5.105254       0.2881204     5.490901       0.3439341     4.197762       0.5275966 
1 1 1 16 1  18 o 2.863311       0.3866779     2.747147       0.6299649     2.933535       0.4898036 
1 1 1 16 1  19 o 1.186399       0.3645692     0.8513960      0.6029946     1.379407       0.4576962 
1 1 1 16 1  20 f 1.365862       0.3242406     1.052234       0.6118619     1.488325       0.3823390 
1 1 1 16 1  21 f 0.1864650      0.3196635     -0.2291481     0.6079286     0.3452927      0.3758124 
1 1 1 16 1  22 o 0.4431369      0.3168818     0.1654443      0.6105961     0.5454969      0.3707123 
1 1 1 16 1  23 o 1.762849       0.3309342     1.221298       0.6324660     1.967015       0.3883371 
1 1 1 16 1  24 o 0.8998232      0.3387318     1.199863       0.6546993     0.7901473      0.3958291 
1 1 1 16 1  25 o 2.661291       0.3633489     3.114517       0.6685889     2.471328       0.4328481 
1 1 1 16 1  26 o -0.6872930E-01 0.3687328     -0.6672212     0.6810385     0.1794738      0.4385772 
1 1 1 16 1  27 o 0.4137656      0.2373364     0.3278998      0.3074729     0.5403441      0.3733163 
1 1 1 16 1  28 o 0.1788989      0.2216406     0.1364667      0.2653468     0.2768328      0.4031185 
1 1 1 16 1  29 o 0.3863735      0.2375592     0.3258363      0.3031098     0.4827693      0.3824880 
1 1 1 16 1  30 o 0.1018680      0.2793019     0.1585075      0.3406297     -0.1434822E-01 0.4879282 
1 1 1 16 2  0  o 37.39054       0.8758153     37.39054       0.6192949     ?              ?         
1 1 1 16 2  1  f 33.32417       0.5906509     33.85828       0.8388636     32.79901       0.8317943 
1 1 1 16 2  2  o 14.48812       0.4536827     14.14635       0.6397566     14.83387       0.6434679 
1 1 1 16 2  3  o 7.598537       0.3998483     7.430398       0.5456407     7.793553       0.5876332 
1 1 1 16 2  4  o 10.35272       0.4120534     9.848561       0.5655096     10.92334       0.6016294 
1 1 1 16 2  5  o 24.99912       0.5040837     25.42225       0.6955490     24.53103       0.7315788 
1 1 1 16 2  6  f 47.55356       0.6875855     46.73455       0.9392436     48.49933       1.009319  
1 1 1 16 2  7  o 8.489149       0.3914716     8.271508       0.5497013     8.713116       0.5576327 
1 1 1 16 2  8  o 3.328975       0.3632211     3.159102       0.5113320     3.501995       0.5160448 
1 1 1 16 2  9  o 1.859118       0.3288696     1.580058       0.4913455     2.085598       0.4426417 
1 1 1 16 2  10 o 0.8430281      0.3104961     1.107374       0.4698296     0.6380526      0.4137187 
1 1 1 16 2  11 f 3.116354       0.3165428     2.800684       0.4651957     3.388539       0.4319670 
1 1 1 16 2  12 o 12.24315       0.3610856     12.59626       0.5726063     12.01003       0.4652518 
1 1 1 16 2  13 o 2.044766       0.3028681     1.826365       0.4373197     2.246071       0.4198543 
1 1 1 16 2  14 f 3.784446       0.2903662     3.956370       0.4179621     3.624064       0.4036894 
1 1 1 16 2  15 o 0.4915271      0.2492829     0.4353159      0.3105193     0.5934244      0.4180794 
1 1 1 16 2  16 o 1.959797       0.4287034     2.922170       0.6717366     1.298456       0.5568523 
1 1 1 16 2  17 o 4.117831       0.3860154     4.556335       0.6755562     3.905250       0.4703667 
1 1 1 16 2  18 o 9.239038       0.4293711     9.805816       0.7294441     8.938542       0.5311341 
1 1 1 16 2  19 o 3.270493       0.3888259     2.713729       0.6860458     3.533972       0.4719446 
1 1 1 16 2  20 o 0.1090627      0.3583206     0.8596306      0.6496169     -0.2191573     0.4295808 
1 1 1 16 2  21 o 0.6604753      0.3647586     0.2872492      0.6750368     0.8143914      0.4334944 
1 1 1 16 2  22 o 0.9646832      0.3698077     0.8339633      0.6658385     1.022994       0.4447036 
1 1 1 16 2  23 o 0.7873270      0.3747400     0.4036090      0.6883302     0.9489666      0.4467500 
1 1 1 16 2  24 o 0.2458044      0.3790855     0.3271996      0.7175255     0.2142878      0.4464855 
1 1 1 16 2  25 o 1.733235       0.4043335     2.338520       0.7392871     1.474906       0.4829693 
1 1 1 16 2  26 o 1.201535       0.4067697     2.249877       0.7310973     0.7315063      0.4895376 
1 1 1 16 2  27 o -0.1398644E-01 0.4225168     -0.9093586     0.7855185     0.3505184      0.5011945 
1 1 1 16 2  28 f -0.3513919     0.4431841     -1.412153      0.8128096     0.9739112E-01  0.5286866 
1 1 1 16 2  29 o 0.8021733      0.5322850     1.446513       0.8198466     0.3326542      0.6998450 
1 1 1 16 2  30 o 0.2339772      0.3361748     0.5591161      0.4438238     -0.2036409     0.5149011 
1 1 1 16 3  0  o 77.74292       1.406418      77.74292       0.9944878     ?              ?         
1 1 1 16 3  1  f 63.29326       0.8287183     62.65816       1.133910      64.02146       1.214172  
1 1 1 16 3  2  o 87.01739       1.043000      86.06829       1.431881      88.09016       1.522319  
1 1 1 16 3  3  o 46.94847       0.6922117     46.23557       0.9469623     47.76648       1.014382  
1 1 1 16 3  4  o 19.33382       0.4738772     19.34108       0.6491095     19.32555       0.6934088 
1 1 1 16 3  5  o 31.35792       0.5635722     31.51794       0.7734343     31.17677       0.8228852 
1 1 1 16 3  6  o 66.56470       0.8598737     66.87732       1.184645      66.21660       1.250082  
1 1 1 16 3  7  o 55.05588       0.7605453     55.39921       1.052552      54.68079       1.100175  
1 1 1 16 3  8  o 27.50957       0.5242231     26.53839       0.7100881     28.67292       0.7771721 
1 1 1 16 3  9  o 10.96024       0.4011294     11.81532       0.5603157     10.06127       0.5745161 
1 1 1 16 3  10 o 7.843028       0.3486352     8.076145       0.5280308     7.662862       0.4642026 
1 1 1 16 3  11 o 20.95883       0.4297452     21.01134       0.6348242     20.91441       0.5838711 
1 1 1 16 3  12 o 7.568637       0.3195769     7.769773       0.5166060     7.443954       0.4067419 
1 1 1 16 3  13 o 0.1171126      0.2526505     -0.8207837E-01 0.4123363     0.2368502      0.3196922 
1 1 1 16 3  14 f 11.20086       0.3537008     10.85067       0.4546525     11.73773       0.5629349 
1 1 1 16 3  15 o 12.91322       0.4967708     13.24991       0.7913325     12.69423       0.6381922 
1 1 1 16 3  16 o 13.87742       0.5046368     13.79885       0.8019625     13.92892       0.6493002 
1 1 1 16 3  17 o 5.764303       0.4400789     5.550593       0.7466041     5.878088       0.5447790 
1 1 1 16 3  18 o 10.25436       0.4648662     10.31692       0.7722654     10.21881       0.5821504 
1 1 1 16 3  19 o 4.664095       0.4265625     5.635138       0.7646816     4.225430       0.5139585 
1 1 1 16 3  20 f 1.376070       0.4009777     0.5455957      0.7208833     1.748124       0.4825083 
1 1 1 16 3  21 o 3.021969       0.4126964     3.548835       0.7157078     2.759524       0.5051316 
1 1 1 16 3  22 o 1.480679       0.4119108     1.429615       0.7262666     1.504895       0.5001307 
1 1 1 16 3  23 o 0.8682041      0.4208889     1.196122       0.7567135     0.7213154      0.5064580 
1 1 1 16 3  24 o 2.158243       0.4286511     1.992533       0.7690757     2.232919       0.5162781 
1 1 1 16 3  25 o 0.3031068      0.4358442     0.8378091      0.7722458     0.5317730E-01  0.5279688 
1 1 1 16 3  26 o -0.1894363     0.4440773     -1.589730      0.7983241     0.4379982      0.5343845 
1 1 1 16 3  27 o 0.2895987      0.4578734     0.7812144      0.8248286     0.7063220E-01  0.5504777 
1 1 1 16 3  28 o -0.4832601     0.4639808     -0.1812472     0.8285772     -0.6212233     0.5600178 
1 1 1 16 3  29 f -0.3917902     0.5601056     -0.1913242     0.8322833     -0.5577366     0.7572418 
1 1 1 16 4  0  o 25.99257       0.7299967     25.99257       0.5161856     ?              ?         
1 1 1 16 4  1  o 61.72753       0.8253565     62.09285       1.140675      61.32610       1.195731  
1 1 1 16 4  2  f 49.42982       0.7221408     49.90912       0.9944006     48.89498       1.050424  
1 1 1 16 4  3  f 77.74278       0.9684652     78.82365       1.341779      76.56731       1.399262  
1 1 1 16 4  4  o 27.00172       0.5405694     27.59195       0.7404816     26.32825       0.7909753 
1 1 1 16 4  5  o 6.459012       0.4127456     6.490993       0.5689888     6.423492       0.5996373 
1 1 1 16 4  6  o 6.508465       0.4068159     6.065475       0.5631893     6.991805       0.5882797 
1 1 1 16 4  7  o 2.782924       0.3909600     3.325294       0.5440828     2.203910       0.5621622 
1 1 1 16 4  8  o 24.89597       0.5095251     24.59007       0.7068024     25.22694       0.7351902 
1 1 1 16 4  9  f 81.43269       0.9962496     80.65134       1.362357      82.33076       1.460586  
1 1 1 16 4  10 o 88.52701       1.065081      89.42675       1.471528      87.53703       1.543555  
1 1 1 16 4  11 o 44.38896       0.6299894     44.88224       0.9141624     43.94280       0.8694013 
1 1 1 16 4  12 o 6.747841       0.3143714     8.112399       0.5261388     5.990178       0.3920509 
1 1 1 16 4  13 o 5.015044       0.2600504     4.683320       0.4341710     5.200630       0.3247464 
1 1 1 16 4  14 o 4.796223       0.4600774     4.413404       0.7502126     5.026985       0.5824656 
1 1 1 16 4  15 o 3.285085       0.4507631     2.074388       0.7487997     3.973166       0.5645050 
1 1 1 16 4  16 o 3.692646       0.4445529     4.489434       0.7398827     3.242482       0.5561309 
1 1 1 16 4  17 o 0.8584579      0.4343112     0.5026668E-02  0.7711498     1.254915       0.5255963 
1 1 1 16 4  18 o 2.435000       0.4393113     1.666196       0.7593544     2.821772       0.5385966 
1 1 1 16 4  19 o 6.742089       0.4585245     7.396664       0.7839490     6.401721       0.5653036 
1 1 1 16 4  20 o -0.2957330     0.4244577     0.1138330      0.7383701     -0.4978806     0.5187362 
1 1 1 16 4  21 o 2.552032       0.4359895     2.747955       0.7447510     2.449877       0.5377722 
1 1 1 16 4  22 o 0.2588876      0.4368011     0.4026760      0.7494583     0.1849196      0.5375356 
1 1 1 16 4  23 o 2.506970       0.4584327     2.049189       0.7855756     2.743370       0.5645251 
1 1 1 16 4  24 o 2.831841       0.4712596     2.492464       0.8025786     3.010424       0.5821936 
1 1 1 16 4  25 o 3.778949       0.4922601     3.342067       0.8423055     4.005564       0.6066415 
1 1 1 16 4  26 o 1.168006       0.4799008     0.4887651      0.8619725     1.473126       0.5777190 
1 1 1 16 4  27 o 0.6802851      0.4996620     -1.040311      0.8778732     1.504792       0.6077003 
1 1 1 16 4  28 o -0.1796696     0.5886254     0.2824372      0.8794055     -0.5547467     0.7922791 
1 1 1 16 4  29 f 0.2470441      0.6083876     -0.7631818     0.9047884     1.080745       0.8219454 
1 1 1 16 5  0  o 4.006854       0.5739802     4.006854       0.4058653     ?              ?         
1 1 1 16 5  1  f 23.07990       0.5114466     22.68361       0.7290471     23.46392       0.7176763 
1 1 1 16 5  2  o 17.93827       0.4702990     17.49671       0.6643778     18.38177       0.6658311 
1 1 1 16 5  3  f 5.511176       0.4143293     5.374570       0.5726917     5.661208       0.6001742 
1 1 1 16 5  4  o 58.78104       0.8028852     59.66201       1.105345      57.79709       1.168160  
1 1 1 16 5  5  o 88.53726       1.072870      89.57757       1.472469      87.35996       1.566420  
1 1 1 16 5  6  o 98.59090       1.164597      98.85699       1.601060      98.29193       1.697113  
1 1 1 16 5  7  o 84.86023       1.037868      85.84007       1.425152      83.75375       1.514448  
1 1 1 16 5  8  o 13.85738       0.4471347     14.14972       0.6245610     13.55000       0.6404254 
1 1 1 16 5  9  o 0.4938591      0.3735189     0.6591234      0.5421050     0.3444886      0.5153787 
1 1 1 16 5  10 o 1.092862       0.3613341     0.6384524      0.5255299     1.500286       0.4976188 
1 1 1 16 5  11 o 5.728341       0.3487691     5.397675       0.5492750     5.951719       0.4514559 
1 1 1 16 5  12 o 3.507394       0.2883928     3.288615       0.4970273     3.618436       0.3540955 
1 1 1 16 5  13 o 3.427088       0.3095082     3.438871       0.4207558     3.413195       0.4568956 
1 1 1 16 5  14 o 2.150960       0.4775215     2.120662       0.7823430     2.168949       0.6028447 
1 1 1 16 5  15 o 6.700454       0.4938900     6.663166       0.8021749     6.723218       0.6267723 
1 1 1 16 5  16 o 9.212597       0.5012211     8.874836       0.8387538     9.400207       0.6251116 
1 1 1 16 5  17 o 2.726246       0.4601566     3.038201       0.7816549     2.560795       0.5692507 
1 1 1 16 5  18 o 1.533668       0.4563388     1.271160       0.7872264     1.666520       0.5600315 
1 1 1 16 5  19 f 0.4496441      0.4568498     0.6416472      0.7738357     0.3469211      0.5660159 
1 1 1 16 5  20 o 2.062589       0.4535079     2.400097       0.7788026     1.889425       0.5578452 
1 1 1 16 5  21 o 1.190038       0.4602211     2.419601       0.8093793     0.6025553      0.5594664 
1 1 1 16 5  22 o 0.6941795      0.4662804     1.323811       0.7868152     0.3533623      0.5788822 
1 1 1 16 5  23 o 0.7297486      0.5284768     -0.4038542     0.9199086     1.288183       0.6456549 
1 1 1 16 5  24 o 0.5070272      0.4863183     0.8368616E-01  0.8404884     0.7200923      0.5962696 
1 1 1 16 5  25 o 0.7471889      0.5029684     0.9888796      0.8577191     0.6205230      0.6209332 
1 1 1 16 5  26 o 0.7931650      0.5139326     1.608165       0.9063157     0.4068913      0.6239479 
1 1 1 16 5  27 o 0.6889802      0.5042924     0.6124540      0.9141373     0.7224573      0.6046168 
1 1 1 16 5  28 o 0.3417952      0.6131538     -0.1007101     0.9027435     0.7207648      0.8354247 
1 1 1 16 5  29 o 0.2230315      0.6275811     -0.9982929E-01 0.9399883     0.4826928      0.8429823 
1 1 1 16 6  0  o 14.83131       0.6765645     14.83131       0.4784033     ?              ?         
1 1 1 16 6  1  o 21.02274       0.5107677     20.86117       0.7166620     21.18953       0.7281442 
1 1 1 16 6  2  o 9.555890       0.4417529     10.06511       0.6164954     9.018511       0.6333096 
1 1 1 16 6  3  o 16.74846       0.4809098     17.05320       0.6696638     16.42395       0.6910591 
1 1 1 16 6  4  o 34.05568       0.6345505     35.15629       0.8934170     32.93526       0.9014162 
1 1 1 16 6  5  o 23.31007       0.5360357     23.38297       0.7348812     23.22719       0.7835998 
1 1 1 16 6  6  o 50.42933       0.7447820     50.48501       1.021377      50.36611       1.088374  
1 1 1 16 6  7  o 48.03275       0.7238266     47.42944       0.9914526     48.72131       1.059193  
1 1 1 16 6  8  o 15.77980       0.4743255     15.69465       0.6722019     15.86425       0.6694019 
1 1 1 16 6  9  f 6.637258       0.4009817     6.846443       0.5924143     6.460393       0.5447296 
1 1 1 16 6  10 o 11.49881       0.4039075     10.74497       0.5956760     12.14038       0.5495332 
1 1 1 16 6  11 o 2.381248       0.3457541     2.675808       0.5613696     2.201212       0.4388773 
1 1 1 16 6  12 f 2.583888       0.3143057     2.415169       0.5008539     2.693493       0.4036886 
1 1 1 16 6  13 f 7.454193       0.2828860     6.759935       0.4739188     7.838477       0.3525896 
1 1 1 16 6  14 o 10.31368       0.5315992     10.94812       0.8656278     9.929527       0.6735816 
1 1 1 16 6  15 o 2.349648       0.4794415     1.447719       0.8073531     2.840983       0.5958900 
1 1 1 16 6  16 f 1.586557       0.4700113     1.331657       0.7728271     1.736178       0.5920987 
1 1 1 16 6  17 o 2.306673       0.4777488     1.728817       0.8012753     2.625408       0.5950961 
1 1 1 16 6  18 o 2.396228       0.4788681     2.936039       0.8119759     2.108345       0.5929660 
1 1 1 16 6  19 o 3.103652       0.4746343     3.939910       0.8067017     2.660890       0.5869857 
1 1 1 16 6  20 o 0.7656367      0.4829518     1.016822       0.8156297     0.6300216      0.5993082 
1 1 1 16 6  21 o 2.661295       0.4902651     2.316862       0.8156326     2.856138       0.6134567 
1 1 1 16 6  22 o 0.4685533      0.4986064     1.485672       0.8500373     -0.6496587E-01 0.6156406 
1 1 1 16 6  23 o 0.3105390      0.5094907     0.1668586      0.8406560     0.3939541      0.6405331 
1 1 1 16 6  24 o -0.4496314     0.5146984     -1.497621      0.8727747     0.1091764      0.6373162 
1 1 1 16 6  25 o 0.9346275E-02  0.5275654     0.7412855E-01  0.8888375     -0.2588981E-01 0.6555232 
1 1 1 16 6  26 o -0.6091290     0.5222617     -0.1246273     0.9110215     -0.8462983     0.6373973 
1 1 1 16 6  27 o 0.1435933      0.6273435     -0.8578361     0.9598892     0.8902811      0.8288586 
1 1 1 16 6  28 o 0.9897223      0.6510725     0.1260639      0.9639201     1.714321       0.8829147 
1 1 1 16 6  29 f 0.1246194      0.6593937     0.3163866E-01  0.9987371     0.1964689      0.8779440 
1 1 1 16 7  0  o 8.533819       0.6401892     8.533819       0.4526821     ?              ?         
1 1 1 16 7  1  o 10.31497       0.4671699     9.927992       0.6499462     10.72860       0.6719598 
1 1 1 16 7  2  o 4.576775       0.4814764     3.591345       0.6909642     5.506867       0.6712831 
1 1 1 16 7  3  o 23.82313       0.5490733     23.71143       0.7688941     23.93937       0.7843506 
1 1 1 16 7  4  f 23.77365       0.5481103     24.74868       0.7830104     22.83683       0.7675121 
1 1 1 16 7  5  o 52.05976       0.7563536     54.41180       1.077007      49.77094       1.062433  
1 1 1 16 7  6  o 61.89570       0.8354159     62.55672       1.183125      61.23839       1.179795  
1 1 1 16 7  7  f 38.39611       0.6350855     39.33011       0.9145162     37.52611       0.8826258 
1 1 1 16 7  8  o 11.66521       0.4484064     12.84575       0.6664076     10.68851       0.6061513 
1 1 1 16 7  9  o 2.416643       0.3873881     2.865168       0.5764280     2.047214       0.5231395 
1 1 1 16 7  10 o 19.35921       0.4855434     19.51558       0.7401649     19.24109       0.6433028 
1 1 1 16 7  11 o 13.50410       0.4252231     13.55417       0.6538814     13.46741       0.5597454 
1 1 1 16 7  12 o 12.17309       0.3919802     12.17290       0.6016270     12.17323       0.5167019 
1 1 1 16 7  13 o 7.665529       0.3198247     7.748877       0.5097772     7.611428       0.4107097 
1 1 1 16 7  14 o 1.617090       0.2301412     1.795284       0.3053217     1.382642       0.3502149 
1 1 1 16 7  15 o -0.4784040E-01 0.4850651     -0.6766623     0.7764912     0.3545918      0.6211823 
1 1 1 16 7  16 o 2.470400       0.4919412     2.433977       0.8043251     2.492168       0.6218037 
1 1 1 16 7  17 o 3.092749       0.5069352     2.472366       0.8141566     3.485556       0.6478407 
1 1 1 16 7  18 o 2.509446       0.4942946     2.620244       0.7985176     2.440616       0.6293707 
1 1 1 16 7  19 o 0.4535142      0.4900034     0.3259018      0.8215801     0.5239691      0.6104625 
1 1 1 16 7  20 o 3.314931       0.5041438     3.608349       0.8503653     3.155907       0.6260254 
1 1 1 16 7  21 o 2.212687       0.5105547     1.895179       0.8434727     2.396288       0.6414030 
1 1 1 16 7  22 o 0.3343026      0.5206163     0.6133015      0.8739991     0.1808628      0.6481549 
1 1 1 16 7  23 o -0.2772122     0.5127511     0.7986271E-01  0.8385011     -0.4904929     0.6480370 
1 1 1 16 7  24 o 0.5956126      0.5387786     1.063805       0.8794158     0.3142820      0.6816959 
1 1 1 16 7  25 o -0.1777157     0.5490564     -0.7345336     0.9240152     0.1261905      0.6826409 
1 1 1 16 7  26 o 0.3777457      0.5530682     0.9710621      0.9685624     0.9068789E-01  0.6737040 
1 1 1 16 7  27 o 0.7379491      0.6795875     0.1304045      1.001927      1.255621       0.9248563 
1 1 1 16 7  28 o 1.114704       0.6852180     0.3414074      1.031689      1.725070       0.9165804 
1 1 1 16 8  0  o 12.27325       0.7088198     12.27325       0.5012113     ?              ?         
1 1 1 16 8  1  o 6.609597       0.4637957     6.098486       0.6547838     7.124228       0.6570343 
1 1 1 16 8  2  o 2.559126       0.4565666     2.975619       0.6447979     2.140339       0.6465711 
1 1 1 16 8  3  o 9.716280       0.4871216     10.56457       0.6952769     8.898438       0.6826837 
1 1 1 16 8  4  o 36.08822       0.6448458     36.78691       0.9087014     35.37944       0.9152330 
1 1 1 16 8  5  o 50.88630       0.7637370     51.86730       1.080494      49.90676       1.079680  
1 1 1 16 8  6  o 102.9797       1.166540      104.2710       1.702543      101.8371       1.601558  
1 1 1 16 8  7  o 80.56477       0.9721590     80.30698       1.418493      80.79310       1.334985  
1 1 1 16 8  8  o 33.89656       0.5877785     32.51629       0.8576285     35.11913       0.8071545 
1 1 1 16 8  9  o 12.08426       0.4374136     11.09317       0.6524444     12.89341       0.5895227 
1 1 1 16 8  10 o 15.61686       0.4657371     15.90371       0.7241858     15.41454       0.6081970 
1 1 1 16 8  11 o 17.29112       0.4676778     17.21554       0.7158495     17.34741       0.6177365 
1 1 1 16 8  12 o 11.56613       0.4074723     11.26376       0.6356817     11.77702       0.5308805 
1 1 1 16 8  13 o 1.773148       0.3177772     2.279886       0.5179983     1.467354       0.4023939 
1 1 1 16 8  14 o 0.7794497      0.2569345     0.3809940      0.4109522     1.035162       0.3292129 
1 1 1 16 8  15 o 1.008852       0.5059879     0.7372113      0.8151003     1.179157       0.6453973 
1 1 1 16 8  16 o -0.2448055     0.4921634     -0.3663311     0.7838218     -0.1657074     0.6323633 
1 1 1 16 8  17 o 1.019495       0.4903842     0.7385041      0.8150116     1.178950       0.6139551 
1 1 1 16 8  18 o 2.295838       0.5066175     3.434823       0.8478506     1.663342       0.6318145 
1 1 1 16 8  19 o 6.308477       0.5308638     7.727581       0.8698676     5.466266       0.6701262 
1 1 1 16 8  20 o 6.157291       0.5521950     5.786659       0.8983571     6.382360       0.7000595 
1 1 1 16 8  21 o 2.019458       0.5312595     1.723587       0.8657613     2.198153       0.6728284 
1 1 1 16 8  22 o -0.8019695     0.5298171     -0.8332782     0.8817772     -0.7842800     0.6628010 
1 1 1 16 8  23 o 0.9195827      0.5465225     1.958793       0.9118971     0.3370792      0.6827213 
1 1 1 16 8  24 o 0.5409432      0.5613788     -0.2063183E-02 0.9100319     0.8745151      0.7132617 
1 1 1 16 8  25 o 0.3494350      0.5723917     -0.2127537E-01 0.9356681     0.5711351      0.7235813 
1 1 1 16 8  26 o 0.2337400      0.5628248     0.9827088      0.9812123     -0.1335201     0.6870970 
1 1 1 16 8  27 o 0.7306796      0.6926559     0.2883200      1.021966      1.106550       0.9420359 
1 1 1 16 8  28 o 1.361992       0.7052177     1.439024       1.019763      1.291385       0.9763122 
1 1 1 16 9  0  o 22.59634       0.8067102     22.59634       0.5704302     ?              ?         
1 1 1 16 9  1  o 27.12731       0.6072870     27.76088       0.8633399     26.50681       0.8543971 
1 1 1 16 9  2  o 40.98570       21.41675      67.67290       31.88683      19.05241       28.90758  
1 1 1 16 9  3  o 3.196770       0.7782549     -37.24006      22.67102      3.244478       0.7787138 
1 1 1 16 9  4  o 5.505521       0.4554052     5.767679       0.6735191     5.284716       0.6181216 
1 1 1 16 9  5  o 30.45270       0.5914687     30.70465       0.8752870     30.24097       0.8023856 
1 1 1 16 9  6  o 50.67450       0.7380207     51.44304       1.091610      50.02745       1.001624  
1 1 1 16 9  7  o 27.03683       0.5604783     26.33401       0.8186861     27.65681       0.7689242 
1 1 1 16 9  8  o 27.79309       0.5524560     28.40320       0.8270184     27.30145       0.7423959 
1 1 1 16 9  9  o 19.54829       0.5112120     19.62214       0.7891685     19.49490       0.6710381 
1 1 1 16 9  10 f 29.08189       0.5624120     30.32469       0.8790055     28.22046       0.7318131 
1 1 1 16 9  11 o 4.548881       0.3932828     4.103724       0.6253913     4.840084       0.5058172 
1 1 1 16 9  12 o 6.910017       0.3925508     6.629605       0.6239836     7.093689       0.5050049 
1 1 1 16 9  13 o 18.60341       0.4531273     18.42264       0.7042683     18.73111       0.5919141 
1 1 1 16 9  14 f 14.36782       0.3963971     14.03570       0.6148083     14.60410       0.5185769 
1 1 1 16 9  15 o 17.78414       0.3962947     18.58842       0.6115432     17.20188       0.5203312 
1 1 1 16 9  16 o 14.11784       0.5889137     14.63436       0.9324439     13.77508       0.7595847 
1 1 1 16 9  17 o 3.421075       0.5175244     3.892058       0.8731667     3.166026       0.6425486 
1 1 1 16 9  18 o 2.827785       0.5260152     2.845263       0.8554354     2.817159       0.6670258 
1 1 1 16 9  19 o 0.8305913      0.5269987     1.162913       0.8830197     0.6467354      0.6567949 
1 1 1 16 9  20 o -0.3399996     0.5370012     0.3991075      0.8787452     -0.7805256     0.6784143 
1 1 1 16 9  21 f -0.1011461     0.5431638     -0.6945624     0.8847071     0.2578473      0.6881181 
1 1 1 16 9  22 o 0.8014334      0.5609702     0.3537352      0.9264596     1.060585       0.7048727 
1 1 1 16 9  23 o -0.3215745E-01 0.5596648     -0.2532017     0.9242592     0.9581422E-01  0.7032521 
1 1 1 16 9  24 f 0.8183004      0.5756708     0.5281326      0.9720924     0.9750244      0.7144154 
1 1 1 16 9  25 o 1.009131       0.5859354     -0.3744175     0.9671274     1.811476       0.7364904 
1 1 1 16 9  26 o 1.111033       0.6909825     1.425276       1.010660      0.8352172      0.9468513 
1 1 1 16 9  27 o -0.1204590     0.7145877     -1.047729      1.021947      0.7666700      0.9995829 
1 1 1 16 9  28 o 0.6988350      0.8615930     0.6336297      1.526508      0.7293188      1.043739  
1 1 1 16 10 0  f 12.06075       0.7381967     12.06075       0.5219839     ?              ?         
1 1 1 16 10 1  o 7.027818       0.4973611     7.099210       0.7094868     6.958834       0.6974182 
1 1 1 16 10 2  o 18.74333       0.5581581     18.63753       0.7921256     18.84766       0.7866129 
1 1 1 16 10 3  o 26.02899       0.5794652     27.62502       0.8527682     24.65988       0.7898222 
1 1 1 16 10 4  o 31.72801       0.6115270     32.70387       0.8979894     30.88407       0.8350914 
1 1 1 16 10 5  f 20.06102       0.5238037     20.95197       0.7652094     19.27544       0.7185324 
1 1 1 16 10 6  o 5.298285       0.4635407     5.736081       0.6842341     4.926919       0.6301872 
1 1 1 16 10 7  o 6.836101       0.4549302     7.391612       0.6816965     6.390048       0.6108543 
1 1 1 16 10 8  o 1.193614       0.4199209     0.9150779      0.6276532     1.419312       0.5649928 
1 1 1 16 10 9  o 3.269905       0.4381014     3.211523       0.6843946     3.310436       0.5702466 
1 1 1 16 10 10 o 5.551554       0.4194648     5.449420       0.6579446     5.621494       0.5444633 
1 1 1 16 10 11 f 6.776851       0.4152206     7.219472       0.6427059     6.459761       0.5439849 
1 1 1 16 10 12 o 1.984158       0.3795897     1.881684       0.6155358     2.047043       0.4821947 
1 1 1 16 10 13 o 1.114318       0.3584875     0.7591425      0.5759115     1.338990       0.4580467 
1 1 1 16 10 14 f 4.237445       0.3432030     3.533046       0.5430579     4.705875       0.4428524 
1 1 1 16 10 15 o 10.24291       0.3371471     10.66693       0.5906256     10.03796       0.4106203 
1 1 1 16 10 16 o 2.655036       0.2422702     2.880586       0.4613217     2.569140       0.2846888 
1 1 1 16 10 17 o 4.440424       0.5425598     4.619742       0.8808540     4.330804       0.6887137 
1 1 1 16 10 18 o -0.2394387     0.5265367     -0.7527887     0.8740093     0.5301215E-01  0.6596838 
1 1 1 16 10 19 o 0.7510826      0.5449542     1.171851       0.8920284     0.5005352      0.6883381 
1 1 1 16 10 20 o 2.527958       0.5709338     2.210107       0.9326770     2.718443       0.7220197 
1 1 1 16 10 21 o 1.008926       0.5718566     1.142125       0.9520580     0.9337464      0.7152591 
1 1 1 16 10 22 o -0.3017632E-01 0.5780713     0.2351292      0.9532665     -0.1844816     0.7269953 
1 1 1 16 10 23 o 0.7904013      0.5863603     0.8554307      0.9879924     0.7550416      0.7285392 
1 1 1 16 10 24 o 0.5067237      0.6035753     -0.8683149E-01 1.000815      0.8460060      0.7566655 
1 1 1 16 10 25 o 0.9467068      0.6300159     1.282559       1.008674      0.7318704      0.8067341 
1 1 1 16 10 26 o 0.8645691E-01  0.7047790     1.336269       1.043946      -0.9602277     0.9553521 
1 1 1 16 10 27 o -0.3071716     0.7030275     0.1375866      1.030427      -0.6944995     0.9616002 
1 1 1 16 11 0  o 13.18461       0.7483770     13.18461       0.5291824     ?              ?         
1 1 1 16 11 1  o 5.654159       0.4943177     5.910148       0.7036019     5.404660       0.6946261 
1 1 1 16 11 2  o 8.670412       0.4885620     8.762594       0.7242897     8.593451       0.6617939 
1 1 1 16 11 3  o 3.171083       0.4609855     2.771692       0.6830584     3.505152       0.6247065 
1 1 1 16 11 4  f 18.48427       0.5337592     17.79256       0.7852146     19.07845       0.7277551 
1 1 1 16 11 5  o 23.61272       0.5616434     23.10360       0.8347772     24.03378       0.7591636 
1 1 1 16 11 6  o 41.87329       0.6863831     41.53503       1.001191      42.17326       0.9428208 
1 1 1 16 11 7  o 46.62134       0.7152288     46.05789       1.053621      47.10289       0.9740335 
1 1 1 16 11 8  o 23.85418       0.5574463     24.00048       0.8532711     23.74523       0.7362966 
1 1 1 16 11 9  o 29.61315       0.5987099     29.68451       0.9664084     29.56870       0.7627069 
1 1 1 16 11 10 f 19.99013       0.5107226     20.80941       0.8056306     19.43965       0.6603764 
1 1 1 16 11 11 o 18.31766       0.4946034     18.98078       0.7781520     17.86816       0.6406713 
1 1 1 16 11 12 o 8.988750       0.4208811     9.703510       0.6683002     8.518916       0.5418315 
1 1 1 16 11 13 o 2.335403       0.3746657     2.555352       0.6171374     2.207015       0.4715010 
1 1 1 16 11 14 o 1.171610       0.3607391     0.4750280      0.5744678     1.625121       0.4635256 
1 1 1 16 11 15 o 0.6876097      0.2986971     0.8786284      0.5457405     0.6059144      0.3569002 
1 1 1 16 11 16 f 1.006105       0.2779271     1.626972       0.5319160     0.7729495      0.3259613 
1 1 1 16 11 17 o 0.6475416      0.2485071     0.8570799      0.4791051     0.5704184      0.2906643 
1 1 1 16 11 18 f 0.2310267E-02  0.2597601     -0.4148280     0.3915150     0.3303254      0.3471805 
1 1 1 16 11 19 o -0.7036554E-01 0.5515211     0.6169457      0.9128683     -0.4654560     0.6921173 
1 1 1 16 11 20 o 0.6210403      0.5730794     -0.9556403     0.9412327     1.549855       0.7224200 
1 1 1 16 11 21 o 0.9549975      0.5786237     2.066059       0.9596711     0.3203803      0.7252860 
1 1 1 16 11 22 o 1.328508       0.5920869     1.375840       0.9663960     1.300063       0.7491597 
1 1 1 16 11 23 o -1.142923      0.5969526     -1.750680      0.9768175     -0.7806466     0.7541678 
1 1 1 16 11 24 o 1.083540       0.6333479     2.045684       1.038958      0.5145553      0.7989656 
1 1 1 16 11 25 o 1.060654       0.6236898     0.4432611      1.036467      1.411111       0.7808935 
1 1 1 16 11 26 o 0.5810467      0.7252718     0.3341877      1.074726      0.7874839      0.9828051 
1 1 1 16 12 0  o 2.827462       0.6341853     2.827462       0.4484367     ?              ?         
1 1 1 16 12 1  o 6.393698       0.4795540     6.434238       0.6883845     6.355473       0.6684389 
1 1 1 16 12 2  o 8.081071       0.4803087     8.664718       0.6866316     7.521835       0.6721191 
1 1 1 16 12 3  o 33.06146       0.6297815     32.68665       0.9238535     33.38684       0.8607790 
1 1 1 16 12 4  o 33.53625       0.6315825     32.93729       0.9256417     34.05801       0.8639330 
1 1 1 16 12 5  o 32.83778       0.6514142     32.06673       0.9173042     33.62219       0.9252244 
1 1 1 16 12 6  o 12.77998       0.4872631     13.01582       0.7247353     12.58542       0.6582419 
1 1 1 16 12 7  o 8.425684       0.4670332     8.813065       0.6864884     8.091902       0.6372285 
1 1 1 16 12 8  o 8.809894       0.4702093     9.489869       0.7457322     8.361143       0.6058134 
1 1 1 16 12 9  o 2.618558       0.4419905     2.241015       0.7115033     2.855804       0.5640174 
1 1 1 16 12 10 o 2.665320       0.4269046     3.126533       0.6826193     2.369062       0.5470957 
1 1 1 16 12 11 o 5.004351       0.4300632     4.501468       0.6885979     5.325950       0.5506674 
1 1 1 16 12 12 o 5.847902       0.4197060     5.709095       0.6678677     5.938498       0.5395591 
1 1 1 16 12 13 o 3.904293       0.4019687     4.747896       0.6517826     3.386485       0.5106434 
1 1 1 16 12 14 o 1.234666       0.3828739     0.4864024      0.6009908     1.745807       0.4967195 
1 1 1 16 12 15 o 3.067906       0.3307920     2.830173       0.6001832     3.171631       0.3964406 
1 1 1 16 12 16 o 0.5268628      0.3082368     -0.2362412E-01 0.5975218     0.7264707      0.3598066 
1 1 1 16 12 17 o 3.470926       0.3070690     3.039477       0.5691039     3.648121       0.3647145 
1 1 1 16 12 18 o 3.447335       0.2949601     3.541327       0.5550830     3.410353       0.3481861 
1 1 1 16 12 19 o 7.208696       0.3384518     6.809273       0.5516219     7.449839       0.4286099 
1 1 1 16 12 20 o 5.505769       0.3283992     5.954278       0.4875091     5.133173       0.4443400 
1 1 1 16 12 21 o 2.210457       0.5952301     1.529585       0.9769701     2.612396       0.7506343 
1 1 1 16 12 22 o 3.187953       0.6369200     2.315027       1.035047      3.719937       0.8080167 
1 1 1 16 12 23 o 3.404467       0.6463366     3.300314       1.081425      3.462347       0.8061661 
1 1 1 16 12 24 o 1.502267       0.6484504     1.216877       1.085719      1.660519       0.8084891 
1 1 1 16 12 25 o -0.5653595     0.6483729     0.1630606      1.105020      -0.9478067     0.8006912 
1 1 1 16 12 26 o 0.6509608      0.7380493     -0.8175501     1.095648      1.870860       0.9986067 
1 1 1 16 13 0  f 3.287796       0.6493140     3.287796       0.4591343     ?              ?         
1 1 1 16 13 1  o 5.206718       0.4523545     4.878985       0.6474136     5.519333       0.6323057 
1 1 1 16 13 2  o 14.76504       0.5172143     15.49657       0.7540362     14.11504       0.7107817 
1 1 1 16 13 3  o 19.30512       0.5367231     19.67458       0.7874428     18.98454       0.7335063 
1 1 1 16 13 4  o 32.69639       0.6206549     33.34901       0.9147121     32.13956       0.8449141 
1 1 1 16 13 5  o 52.91894       0.7672233     52.34307       1.120691      53.42692       1.052547  
1 1 1 16 13 6  o 41.02372       0.6743756     40.14561       1.000749      41.75417       0.9127378 
1 1 1 16 13 7  o 16.69218       0.5168679     16.77485       0.8090551     16.63518       0.6718432 
1 1 1 16 13 8  o 8.249943       0.4776147     7.495613       0.7456878     8.774665       0.6219296 
1 1 1 16 13 9  o 9.042313       0.4741175     9.113993       0.7554718     8.995737       0.6089720 
1 1 1 16 13 10 o 2.907646       0.4423972     2.475214       0.6995690     3.195828       0.5710902 
1 1 1 16 13 11 o 3.005283       0.4340377     2.706618       0.6792059     3.211433       0.5642891 
1 1 1 16 13 12 o 1.695629       0.4256723     1.633769       0.6807684     1.735342       0.5454547 
1 1 1 16 13 13 o 2.217272       0.4139773     2.316562       0.6602133     2.152940       0.5314279 
1 1 1 16 13 14 o 2.023599       0.4044505     1.570863       0.6509508     2.308269       0.5161738 
1 1 1 16 13 15 o 3.809076       0.3652797     2.926606       0.6523824     4.212081       0.4408668 
1 1 1 16 13 16 f 7.158666       0.3745701     7.444031       0.6619354     7.024247       0.4543031 
1 1 1 16 13 17 o 7.096222       0.3643795     6.922243       0.6566319     7.173635       0.4380076 
1 1 1 16 13 18 o 1.673395       0.3251267     1.839157       0.6306871     1.613399       0.3794298 
1 1 1 16 13 19 o -0.1332786E-01 0.3119140     -0.4771279     0.6062143     0.1536682      0.3637591 
1 1 1 16 13 20 o 0.2845050      0.3326789     -0.3369057     0.5860618     0.5799380      0.4040951 
1 1 1 16 13 21 o 1.333342       0.3330233     1.287753       0.5760308     1.356230       0.4081461 
1 1 1 16 13 22 f 0.5649060      0.3121926     -0.9896628E-01 0.5325227     0.9125588      0.3853619 
1 1 1 16 13 23 o 0.8126066      0.3296092     0.6369069      0.4884473     0.9595100      0.4466302 
1 1 1 16 13 24 o 1.161902       0.6295302     1.119642       1.056664      1.185156       0.7838225 
1 1 1 16 13 25 o -0.8732837     0.6202759     -0.9394606     1.121028      -0.8440840     0.7446510 
1 1 1 16 14 0  o 34.85569       0.8796484     34.85569       0.6220054     ?              ?         
1 1 1 16 14 1  f 26.71205       0.5681047     26.70068       0.8004411     26.72359       0.8064352 
1 1 1 16 14 2  f 14.72798       0.4998209     13.89377       0.7017992     15.58666       0.7120185 
1 1 1 16 14 3  o 13.27880       0.5091084     14.25600       0.7611219     12.48758       0.6848751 
1 1 1 16 14 4  o 14.90752       0.5179920     15.05709       0.7462640     14.76846       0.7195677 
1 1 1 16 14 5  o 7.280388       0.4714756     6.980063       0.6993050     7.530668       0.6383859 
1 1 1 16 14 6  o 1.149992       0.4333419     1.170152       0.6414847     1.133070       0.5877154 
1 1 1 16 14 7  o 1.760345       0.4490293     1.135961       0.6967730     2.203840       0.5872322 
1 1 1 16 14 8  o 2.934485       0.4591385     2.508328       0.7231002     3.222364       0.5943183 
1 1 1 16 14 9  o 0.7613931      0.4488516     1.523962       0.7240877     0.2855061      0.5720097 
1 1 1 16 14 10 f 2.319061       0.4433404     2.490903       0.7111364     2.209813       0.5670164 
1 1 1 16 14 11 o 4.395222       0.4436918     3.675204       0.6956074     4.889093       0.5761018 
1 1 1 16 14 12 o 2.667037       0.4364442     2.881630       0.7205064     2.542659       0.5485325 
1 1 1 16 14 13 o -0.5306839E-01 0.4146058     -0.1259191     0.6564562     -0.4724308E-02 0.5347618 
1 1 1 16 14 14 o 3.995870       0.4228105     3.686407       0.6849729     4.186361       0.5374109 
1 1 1 16 14 15 o 5.436410       0.3786844     6.026961       0.6967087     5.188791       0.4511437 
1 1 1 16 14 16 o 3.410854       0.3752181     3.788498       0.6916812     3.253382       0.4466491 
1 1 1 16 14 17 o 0.9508443      0.3552265     1.311312       0.6396871     0.7901244      0.4271389 
1 1 1 16 14 18 o 0.9085900      0.3515648     1.032367       0.6549655     0.8584933      0.4166795 
1 1 1 16 14 19 o 1.578407       0.3513929     1.764039       0.6648251     1.506445       0.4139378 
1 1 1 16 14 20 o 1.730918       0.3495271     1.911657       0.6707575     1.663547       0.4095221 
1 1 1 16 14 21 o 1.557310       0.3764735     1.232394       0.6563590     1.716615       0.4595902 
1 1 1 16 14 22 o 1.244438       0.3715400     0.7807708      0.6595049     1.460014       0.4496919 
1 1 1 16 14 23 o 0.3535370      0.3652913     0.9912823      0.6217702     0.1738946E-01  0.4514101 
1 1 1 16 14 24 f -0.1649317     0.3643734     -0.4353866     0.6161920     -0.1951190E-01 0.4518356 
1 1 1 16 15 0  o 1.481040       0.6396116     1.481040       0.4522737     ?              ?         
1 1 1 16 15 1  o 2.700174       0.4502829     2.633605       0.6372632     2.766549       0.6363302 
1 1 1 16 15 2  o 8.024223       0.4811200     7.272821       0.6864539     8.749719       0.6745162 
1 1 1 16 15 3  o 16.89795       0.5137911     16.79141       0.7310544     17.00193       0.7222463 
1 1 1 16 15 4  o 7.059400       0.4593513     7.539114       0.6898691     6.677310       0.6156839 
1 1 1 16 15 5  o 2.593395       0.4557321     3.830910       0.6934850     1.652714       0.6046204 
1 1 1 16 15 6  o 0.9741611      0.4653802     1.790519       0.7271644     0.4078199      0.6056636 
1 1 1 16 15 7  o 5.125390       0.4643058     4.924596       0.7425655     5.254288       0.5949538 
1 1 1 16 15 8  o 4.171365       0.4677279     3.748845       0.7494246     4.440957       0.5986292 
1 1 1 16 15 9  o 2.270854       0.4479646     2.495579       0.7214891     2.129874       0.5714574 
1 1 1 16 15 10 o 2.000490       0.4504049     1.941223       0.7111707     2.040184       0.5820065 
1 1 1 16 15 11 f 1.243583       0.4411903     0.8270919      0.7227736     1.490932       0.5569998 
1 1 1 16 15 12 o 3.623035       0.4422736     3.809291       0.7242182     3.512259       0.5585188 
1 1 1 16 15 13 o 4.741760       0.4601775     5.018088       0.7825304     4.595686       0.5689527 
1 1 1 16 15 14 o 0.4838654      0.4280094     1.367583       0.6829656     -0.8767952E-01 0.5492464 
1 1 1 16 15 15 o 1.956503       0.3840619     1.890412       0.7023035     1.984700       0.4587327 
1 1 1 16 15 16 f 3.475600       0.3793108     4.317872       0.6777990     3.091544       0.4576913 
1 1 1 16 15 17 o 2.513097       0.3894725     2.011542       0.6992331     2.738695       0.4689542 
1 1 1 16 15 18 o 0.8876705      0.3828233     0.2483347      0.7091195     1.150645       0.4547911 
1 1 1 16 15 19 o -0.1027926     0.3714988     0.3209130      0.7202180     -0.2563933     0.4336391 
1 1 1 16 15 20 o 0.1032490      0.3715990     0.5704381      0.7109757     -0.7234194E-01 0.4358724 
1 1 1 16 15 21 o 0.9767006      0.4051842     1.789001       0.7170694     0.5956913      0.4911009 
1 1 1 16 15 22 o 0.3266686      0.4037236     0.4508120      0.7007031     0.2649765      0.4939540 
1 1 1 16 15 23 o 0.4950902      0.4025257     -0.1453201     0.7178112     0.7888503      0.4861581 
1 1 1 16 16 0  o 10.12862       0.7093521     10.12862       0.5015877     ?              ?         
1 1 1 16 16 1  o 6.919640       0.4779602     6.274410       0.6745396     7.570248       0.6773447 
1 1 1 16 16 2  o 9.898018       0.4920415     9.710721       0.7051454     10.07576       0.6869162 
1 1 1 16 16 3  o 4.205321       0.4569198     4.118788       0.6535891     4.288040       0.6390215 
1 1 1 16 16 4  o 3.813869       0.4595895     2.731528       0.6535070     4.873013       0.6464656 
1 1 1 16 16 5  f 8.701995       0.4947049     8.134719       0.7536965     9.131380       0.6557265 
1 1 1 16 16 6  o 0.9324618      0.4733978     1.641970       0.7515472     0.4657862      0.6095161 
1 1 1 16 16 7  o 0.8198751      0.4614027     0.7971010      0.7312235     0.8349419      0.5947580 
1 1 1 16 16 8  o 1.888785       0.4741586     1.346123       0.7563733     2.240106       0.6085882 
1 1 1 16 16 9  o 2.830621       0.4724006     2.836035       0.7530717     2.827108       0.6065913 
1 1 1 16 16 10 f 3.118574       0.4639769     2.854026       0.7370799     3.292197       0.5971259 
1 1 1 16 16 11 o 2.216540       0.4617062     2.047827       0.7451511     2.321676       0.5882308 
1 1 1 16 16 12 o 2.887394       0.4656254     2.360523       0.7410823     3.231048       0.5985153 
1 1 1 16 16 13 o 1.505611       0.4540043     1.849875       0.7183998     1.276693       0.5858150 
1 1 1 16 16 14 o 1.275800       0.4470753     1.318050       0.7149983     1.248677       0.5728803 
1 1 1 16 16 15 o 0.3631583E-01  0.3936723     0.2245817      0.7025695     -0.4984718E-01 0.4752958 
1 1 1 16 16 16 o 1.185460       0.3990864     0.8046524      0.7088605     1.362176       0.4828873 
1 1 1 16 16 17 o 2.900676       0.4046687     3.291283       0.7493069     2.739841       0.4808164 
1 1 1 16 16 18 o 2.860136       0.4181471     3.210677       0.7542806     2.704611       0.5024155 
1 1 1 16 16 19 o 0.9314411      0.4102218     1.271831       0.7648193     0.7939653      0.4860526 
1 1 1 16 16 20 f 1.406179       0.4029817     0.8216510      0.7479773     1.645237       0.4783403 
1 1 1 16 16 21 o 0.5715722      0.4058086     0.4247921      0.7533419     0.6315752      0.4816652 
1 1 1 16 16 22 f 0.6546516      0.4262457     0.1804628      0.7399325     0.8901621      0.5214606 
1 1 1 16 17 0  o 20.68651       0.7867912     20.68651       0.5563454     ?              ?         
1 1 1 16 17 1  o 17.96777       0.5351289     18.29780       0.7716801     17.66205       0.7427233 
1 1 1 16 17 2  o 13.42609       0.5085264     13.49850       0.7155040     13.35218       0.7228829 
1 1 1 16 17 3  o 9.824396       0.4942752     10.02180       0.7126172     9.641379       0.6861550 
1 1 1 16 17 4  f 6.294836       0.4847943     6.648002       0.7283894     6.013970       0.6495665 
1 1 1 16 17 5  o 6.177229       0.4898542     7.336571       0.7405701     5.275434       0.6531525 
1 1 1 16 17 6  o 4.487249       0.4990628     4.079993       0.7783671     4.771541       0.6503278 
1 1 1 16 17 7  f 2.842952       0.4900272     2.467595       0.7701153     3.098323       0.6352120 
1 1 1 16 17 8  o 1.194458       0.4719052     1.159311       0.7533714     1.217153       0.6053879 
1 1 1 16 17 9  f 2.187020       0.4851869     1.505830       0.7604264     2.654748       0.6301143 
1 1 1 16 17 10 o 3.514565       0.4965699     3.347761       0.7761304     3.630167       0.6461213 
1 1 1 16 17 11 o 1.507678       0.4868998     1.496087       0.7745662     1.515250       0.6260597 
1 1 1 16 17 12 o -0.4229204     0.4821416     0.1784010      0.7478751     -0.8505802     0.6307031 
1 1 1 16 17 13 o -0.4889165     0.4748984     0.1227944      0.7776134     -0.8527746     0.5997311 
1 1 1 16 17 14 f 1.083707       0.4834711     0.2713478      0.7538791     1.651221       0.6301095 
1 1 1 16 17 15 f 1.954507       0.4306017     1.530094       0.7651311     2.151237       0.5209277 
1 1 1 16 17 16 f 1.978383       0.4370103     3.383231       0.7655136     1.299211       0.5322649 
1 1 1 16 17 17 o -0.1673048E-01 0.4216641     -0.4175678     0.7516761     0.1673246      0.5093550 
1 1 1 16 17 18 o 0.7908841      0.4255484     0.8322856      0.7610323     0.7720500      0.5132956 
1 1 1 16 17 19 o 0.1446555      0.4273112     -0.7084770     0.7788012     0.5121108      0.5111173 
1 1 1 16 17 20 f 0.6391348      0.4268658     0.9886928      0.8034133     0.5016425      0.5038702 
1 1 1 16 17 21 o 0.8396108      0.4280964     0.5203677      0.8095420     0.9635412      0.5043915 
1 1 1 16 18 0  o 8.098388       0.7500780     8.098388       0.5303853     ?              ?         
1 1 1 16 18 1  o 10.83703       0.5004458     10.62893       0.7162488     11.03552       0.6995221 
1 1 1 16 18 2  o 12.08946       0.5164981     11.36726       0.7318060     12.80630       0.7290788 
1 1 1 16 18 3  o 10.25845       0.4869647     10.81137       0.6977805     9.733492       0.6799112 
1 1 1 16 18 4  o 10.64466       0.5256528     10.61037       0.7780368     10.67345       0.7129860 
1 1 1 16 18 5  o 7.907738       0.5162370     8.314966       0.7760549     7.584511       0.6913959 
1 1 1 16 18 6  f 6.699837       0.5038128     6.684393       0.7572145     6.712104       0.6748717 
1 1 1 16 18 7  o 3.312205       0.5094156     2.582085       0.8009329     3.808211       0.6601502 
1 1 1 16 18 8  o 0.1549535      0.5100922     -0.3016523     0.7943734     0.4753280      0.6654003 
1 1 1 16 18 9  o 1.227031       0.5050759     1.990906       0.8018751     0.7246725      0.6502829 
1 1 1 16 18 10 o 2.382646       0.5086232     2.407442       0.7987903     2.365738       0.6596268 
1 1 1 16 18 11 o 2.173473       0.4910940     3.057158       0.7944530     1.626983       0.6247560 
1 1 1 16 18 12 o 3.105817       0.5109048     2.577034       0.7959284     3.476375       0.6662903 
1 1 1 16 18 13 o 4.579303       0.5037134     4.027036       0.7904224     4.956958       0.6536301 
1 1 1 16 18 14 o 5.632361       0.5731850     5.636604       0.9334959     5.629793       0.7262028 
1 1 1 16 18 15 o 3.452838       0.4825334     4.107126       0.8540282     3.146019       0.5848287 
1 1 1 16 18 16 o 1.047456       0.4418579     0.3834619      0.7774404     1.364281       0.5370257 
1 1 1 16 18 17 o 1.975143       0.4593541     2.767892       0.8071987     1.595458       0.5586295 
1 1 1 16 18 18 o 1.887288       0.4497406     1.697265       0.7991593     1.975364       0.5440748 
1 1 1 16 18 19 f 0.8939349      0.4526685     1.790480       0.8139333     0.4924522      0.5446734 
1 1 1 16 18 20 o 0.4569295      0.4455154     0.5199728      0.8361098     0.4319331      0.5264809 
1 1 1 16 19 0  o 10.94316       0.7401019     10.94316       0.5233311     ?              ?         
1 1 1 16 19 1  o 12.20329       0.5204830     11.55882       0.7323980     12.86086       0.7398061 
1 1 1 16 19 2  o 13.23021       0.5379220     12.93215       0.7492617     13.54726       0.7727554 
1 1 1 16 19 3  f 9.189795       0.5277939     8.466928       0.7824795     9.793219       0.7149147 
1 1 1 16 19 4  o 7.554592       0.5174624     7.966384       0.7668286     7.210293       0.7011752 
1 1 1 16 19 5  o 7.944051       0.5267041     8.139402       0.8022262     7.796041       0.6982874 
1 1 1 16 19 6  o 4.094984       0.5136903     4.223126       0.7632236     3.988862       0.6945572 
1 1 1 16 19 7  o 1.356960       0.5040007     1.295564       0.7719538     1.402576       0.6653887 
1 1 1 16 19 8  o 0.8107052      0.5168833     1.703606       0.8064023     0.1880355      0.6734090 
1 1 1 16 19 9  o 2.266393       0.5211336     2.323917       0.8256367     2.228298       0.6718858 
1 1 1 16 19 10 o 2.950248       0.5399300     2.613753       0.8489276     3.178829       0.6996837 
1 1 1 16 19 11 o 4.683177       0.5381536     5.001858       0.8481655     4.468430       0.6962515 
1 1 1 16 19 12 o 4.237380       0.5450702     4.251183       0.8506230     4.227764       0.7099888 
1 1 1 16 19 13 o 3.332429       0.5346526     2.911875       0.8298591     3.630873       0.6990761 
1 1 1 16 19 14 o 0.8804594      0.5205013     -0.1060413     0.8079326     1.580410       0.6805499 
1 1 1 16 19 15 f 0.4435763      0.4710384     -0.5552027     0.7959339     0.9819345      0.5843566 
1 1 1 16 19 16 o 0.8403047      0.4789885     0.8239056      0.8291869     0.8485175      0.5867963 
1 1 1 16 19 17 f 0.2066352      0.4610433     -0.1803358     0.8030114     0.3969226      0.5631027 
1 1 1 16 19 18 o 0.6119970      0.4728623     -0.4324925     0.8439232     1.089981       0.5708967 
1 1 1 16 19 19 o -0.4744026     0.4701314     -0.9939224     0.8734853     -0.2625279     0.5578200 
1 1 1 16 20 0  f 5.076766       0.7018147     5.076766       0.4962579     ?              ?         
1 1 1 16 20 1  o 4.007251       0.5019211     4.331384       0.7040064     3.672178       0.7157874 
1 1 1 16 20 2  o 3.817995       0.5195458     4.890499       0.7570106     2.862987       0.7143419 
1 1 1 16 20 3  o 0.5945700      0.4990835     0.6275809      0.7445428     0.5676340      0.6725556 
1 1 1 16 20 4  o 0.9572370      0.5113661     0.8069072      0.7442029     1.091704       0.7038453 
1 1 1 16 20 5  o 1.041735       0.5154990     1.052786       0.7789485     1.033125       0.6876154 
1 1 1 16 20 6  o 3.796880       0.5219171     4.201496       0.7708452     3.454387       0.7092059 
1 1 1 16 20 7  o 4.209508       0.5297906     4.705015       0.7959340     3.815334       0.7098995 
1 1 1 16 20 8  o 0.7615302      0.5337274     1.355473       0.8330770     0.3480080      0.6951237 
1 1 1 16 20 9  o 0.9292544      0.5361521     1.767799       0.8517192     0.3788759      0.6900238 
1 1 1 16 20 10 o 1.452173       0.5532208     2.376984       0.8768195     0.8405349      0.7130684 
1 1 1 16 20 11 o 2.558752       0.5512565     1.564383       0.8410757     3.307585       0.7298840 
1 1 1 16 20 12 o 1.281731       0.5511256     1.563448       0.8600839     1.085475       0.7178698 
1 1 1 16 20 13 o 2.761481       0.5438501     3.235330       0.8541673     2.438424       0.7052821 
1 1 1 16 20 14 o 1.716695       0.5479427     1.908607       0.8405355     1.574865       0.7225866 
1 1 1 16 20 15 o 1.312296       0.4918457     2.194285       0.8530704     0.8731104      0.6019736 
1 1 1 16 20 16 o 1.554736       0.4938808     1.523524       0.8546724     1.570384       0.6051452 
1 1 1 16 20 17 o 0.1005680      0.4888069     -0.4653931     0.8566399     0.3738079      0.5952194 
1 1 1 16 21 0  o 0.6323068      0.7238266     0.6323068      0.5118228     ?              ?         
1 1 1 16 21 1  f 0.7594468      0.5325719     0.5805330      0.7878076     0.9100243      0.7227336 
1 1 1 16 21 2  o 0.1616293      0.5177605     -0.2398245     0.7850265     0.4707130      0.6888182 
1 1 1 16 21 3  o 0.3174044      0.5281974     1.407954       0.7754068     -0.6267156     0.7214737 
1 1 1 16 21 4  o 1.654546       0.5393205     0.7990187      0.8028523     2.358082       0.7280511 
1 1 1 16 21 5  o 1.464533       0.5390596     1.010465       0.7813743     1.876913       0.7446424 
1 1 1 16 21 6  o -0.2913069     0.5305687     -0.3546917     0.7931298     -0.2399677     0.7137994 
1 1 1 16 21 7  o 2.007255       0.5465341     1.771365       0.8195661     2.196161       0.7334207 
1 1 1 16 21 8  f 1.477841       0.5352754     1.612444       0.7865265     1.361714       0.7305560 
1 1 1 16 21 9  o 0.6792296      0.5562356     0.8030481      0.8752046     0.5953258      0.7204562 
1 1 1 16 21 10 o -0.2769330     0.5637666     -1.784816      0.8897485     0.7345373      0.7287189 
1 1 1 16 21 11 o 0.5979189      0.5579939     0.5273644      0.8621249     0.6487814      0.7319931 
1 1 1 16 21 12 o 0.6791502      0.5573468     -0.5776708     0.8728210     1.544464       0.7242278 
1 1 1 16 21 13 o 0.9363070      0.5793087     -0.4085846     0.8924900     1.915488       0.7615375 
1 1 1 16 21 14 o 1.268536       0.5190049     -0.1390026     0.8760064     2.029835       0.6442508 
1 1 1 16 21 15 o 0.6753157      0.5237238     -0.1855875     0.8706080     1.163527       0.6556160 
1 1 1 16 22 0  f 1.695893       0.8331854     1.695893       0.5891511     ?              ?         
1 1 1 16 22 1  o 2.474009       0.5586373     2.694033       0.8064175     2.271001       0.7746074 
1 1 1 16 22 2  o 2.897021       0.5540257     1.935827       0.8388821     3.640593       0.7378305 
1 1 1 16 22 3  f 2.465078       0.5641961     2.570908       0.8414521     2.378638       0.7604676 
1 1 1 16 22 4  o 1.337554       0.5434867     1.425870       0.7970789     1.260819       0.7429820 
1 1 1 16 22 5  o 1.682199       0.5669634     2.226256       0.8438120     1.234429       0.7655095 
1 1 1 16 22 6  o 1.058167       0.5638774     0.3886915      0.8378465     1.612460       0.7623723 
1 1 1 16 22 7  o 2.239709       0.6331773     2.305171       0.9934227     2.194922       0.8217123 
1 1 1 16 22 8  o 0.8354383      0.5598125     1.112556       0.8578085     0.6298590      0.7388354 
1 1 1 16 22 9  o 0.5434356E-01  0.5461432     -0.3682492     0.8483526     0.3534390      0.7137076 
1 1 1 16 22 10 o 1.085698       0.5791146     1.675999       0.9144688     0.6904507      0.7482846 
1 1 1 16 22 11 o -0.1983595     0.5849829     -0.7651842E-01 0.9284344     -0.2785746     0.7533249 
1 1 1 16 22 12 o 0.3262209      0.5756628     0.5007665      0.8943676     0.2027597      0.7521887 
1 1 1 16 22 13 o 1.839921       0.5772927     1.009753       0.8802198     2.466546       0.7647368 
1 1 1 16 23 0  o 0.6538441      0.8536465     0.6538441      0.6036192     ?              ?         
1 1 1 16 23 1  f 0.3805609      0.6163869     0.2050627      0.8786203     0.5506390      0.8649460 
1 1 1 16 23 2  o -0.6047982     0.5612863     0.1992172      0.8243630     -1.299659      0.7663640 
1 1 1 16 23 3  o -0.7630596E-01 0.5790802     -0.3521241     0.8686719     0.1443014      0.7768807 
1 1 1 16 23 4  o 0.2939694      0.5839125     0.3483403      0.8812343     0.2514140      0.7796240 
1 1 1 16 23 5  o -0.1118626E-01 0.5744902     0.3697596E-01  0.8278245     -0.5593001E-01 0.7979050 
1 1 1 16 23 6  o -0.9828160     0.5777448     -0.9019077     0.8785084     -1.044476      0.7669215 
1 1 1 16 23 7  f 0.4598289      0.5846540     -1.006054      0.8687048     1.673576       0.7904723 
1 1 1 16 23 8  o 1.948261       0.5785612     1.423839       0.8461949     2.408622       0.7928281 
1 1 1 16 23 9  o 0.9885620      0.5660411     1.481741       0.8257543     0.5514114      0.7774348 
1 1 1 16 23 10 o 2.752932       0.5833524     2.871346       0.8645549     2.653962       0.7903939 
1 1 1 16 23 11 o 1.654356       0.6572441     1.496373       1.031793      1.762231       0.8525999 
1 1 1 16 24 0  o 2.359155       0.9082118     2.359155       0.6422027     ?              ?         
1 1 1 16 24 1  o 3.368794       0.6476279     4.182714       0.9277321     2.595164       0.9044790 
1 1 1 16 24 2  f 4.056570       0.5987796     4.182453       0.8685829     3.942567       0.8265820 
1 1 1 16 24 3  o 5.900274       0.6170820     4.877114       0.8935649     6.833095       0.8532048 
1 1 1 16 24 4  o 3.324174       0.6098367     3.311023       0.9080330     3.334981       0.8230890 
1 1 1 16 24 5  f 1.843195       0.6094050     0.8519663      0.9073011     2.657936       0.8225728 
1 1 1 16 24 6  o 1.833840       0.5881361     2.878036       0.8591605     0.9130250      0.8068061 
1 1 1 16 24 7  o 2.188234       0.6126643     2.631537       0.9071288     1.816417       0.8307739 
1 1 1 17 0  0  o -1.201285      0.8625314     -1.201285      0.6099018     ?              ?         
1 1 1 17 0  1  o 2.398641       0.6018644     2.398641       0.4255824     ?              ?         
1 1 1 17 0  2  f 17.07149       0.7138751     17.07149       0.5047859     ?              ?         
1 1 1 17 0  3  f 3.616116       0.6026502     3.616116       0.4261381     ?              ?         
1 1 1 17 0  4  o 14.84106       0.6854586     14.84106       0.4846924     ?              ?         
1 1 1 17 0  5  o 40.54048       0.9596215     40.54048       0.6785548     ?              ?         
1 1 1 17 0  6  o 48.37210       0.9794482     48.37210       0.6925744     ?              ?         
1 1 1 17 0  7  o 28.71285       0.7583196     28.71285       0.5362129     ?              ?         
1 1 1 17 0  8  o 5.846680       0.5333554     5.846680       0.3771392     ?              ?         
1 1 1 17 0  9  o 3.951639       0.5038561     3.951639       0.3562800     ?              ?         
1 1 1 17 0  10 o 2.440859       0.4853794     2.440859       0.3432150     ?              ?         
1 1 1 17 0  11 f 6.603817       0.4796616     6.603817       0.3391719     ?              ?         
1 1 1 17 0  12 o 0.6211836      0.4184379     0.6211836      0.2958803     ?              ?         
1 1 1 17 0  13 o 1.009753       0.4551066     1.009753       0.3218090     ?              ?         
1 1 1 17 0  14 o 2.413366       0.4427972     2.413366       0.3131049     ?              ?         
1 1 1 17 0  15 o -0.4956751     0.4049425     -0.4956751     0.2863376     ?              ?         
1 1 1 17 0  16 o 1.173411       0.3945939     1.173411       0.2790200     ?              ?         
1 1 1 17 0  17 o 1.687815       0.3798418     1.687815       0.2685887     ?              ?         
1 1 1 17 0  18 o 5.411397       0.3859817     5.411397       0.2729303     ?              ?         
1 1 1 17 0  19 o 3.385500       0.3491291     3.385500       0.2468715     ?              ?         
1 1 1 17 0  20 o 5.295892       0.3449307     5.295892       0.2439028     ?              ?         
1 1 1 17 0  21 o 0.4751900      0.2903110     0.4751900      0.2052809     ?              ?         
1 1 1 17 0  22 o 0.5301718      0.2810487     0.5301718      0.1987314     ?              ?         
1 1 1 17 0  23 o 2.177870       0.2777849     2.177870       0.1964236     ?              ?         
1 1 1 17 0  24 o 1.391322       0.2707608     1.391322       0.1914568     ?              ?         
1 1 1 17 0  25 o 0.4533677      0.2708887     0.4533677      0.1915472     ?              ?         
1 1 1 17 0  26 o 0.3324107      0.2569192     0.3324107      0.1816693     ?              ?         
1 1 1 17 0  27 o 0.4298854      0.2657934     0.4298854      0.1879443     ?              ?         
1 1 1 17 0  28 o 0.4608030E-01  0.2870941     0.4608030E-01  0.2030062     ?              ?         
1 1 1 17 0  29 o 0.2293298      0.3330281     0.2293298      0.2354864     ?              ?         
1 1 1 17 1  0  o 92.58180       1.618027      92.58180       1.144118      ?              ?         
1 1 1 17 1  1  o 130.9645       1.512053      129.7100       2.132692      132.2324       2.144087  
1 1 1 17 1  2  o 62.97600       0.8707156     62.31649       1.225225      63.64893       1.237624  
1 1 1 17 1  3  o 63.80437       0.8781612     63.83982       1.236936      63.76833       1.246939  
1 1 1 17 1  4  o 54.67705       0.7706161     56.04251       1.062504      53.16157       1.119349  
1 1 1 17 1  5  o 51.18272       0.7419091     51.33499       1.017091      51.00956       1.084595  
1 1 1 17 1  6  o 21.42528       0.5050467     21.68723       0.6888148     21.12073       0.7427145 
1 1 1 17 1  7  o 11.16063       0.4141906     11.63279       0.5958094     10.71905       0.5761911 
1 1 1 17 1  8  o 7.917006       0.3905095     7.348177       0.5605467     8.453412       0.5443375 
1 1 1 17 1  9  o 5.238685       0.3690077     4.925825       0.5342736     5.524058       0.5102654 
1 1 1 17 1  10 o 6.692025       0.3586238     6.619652       0.5167537     6.759267       0.4981018 
1 1 1 17 1  11 o 0.6400419      0.3118434     1.437285       0.4518488     -0.8506276E-01 0.4309214 
1 1 1 17 1  12 o 4.063512       0.3025964     3.250762       0.4360131     4.818707       0.4202916 
1 1 1 17 1  13 f 3.424408       0.3034304     3.411207       0.4724371     3.433676       0.3958745 
1 1 1 17 1  14 f -0.1200616     0.3007537     0.2027265      0.4284726     -0.4335504     0.4222555 
1 1 1 17 1  15 o 5.006642       0.3094499     4.397839       0.4428495     5.587556       0.4325874 
1 1 1 17 1  16 o 4.835003       0.2880980     4.354275       0.3965156     5.372572       0.4193029 
1 1 1 17 1  17 f 3.729100       0.2707224     3.676000       0.3551029     3.802795       0.4183412 
1 1 1 17 1  18 o 0.6152629      0.2925502     0.8113397      0.6176115     0.5585420      0.3321804 
1 1 1 17 1  19 o 0.4175422      0.3643364     0.4631071      0.5901654     0.3894826      0.4631248 
1 1 1 17 1  20 o 0.5817753      0.3612869     0.2583453      0.6064705     0.7596962      0.4498140 
1 1 1 17 1  21 o 0.5733175      0.3566119     0.7419353      0.6191588     0.4896147      0.4362351 
1 1 1 17 1  22 o 1.353409       0.3553317     1.193129       0.6303356     1.428068       0.4302008 
1 1 1 17 1  23 o -0.4100953E-01 0.3112052     0.2577766E-01  0.6224194     -0.6327108E-01 0.3593471 
1 1 1 17 1  24 o 0.6496728      0.3205401     0.9114453      0.6427389     0.5630140      0.3698102 
1 1 1 17 1  25 o 3.947279       0.3590144     3.119881       0.6843420     4.261463       0.4217045 
1 1 1 17 1  26 f 2.018549       0.3553644     1.686045       0.6786666     2.144153       0.4171183 
1 1 1 17 1  27 o 0.6813849      0.3511331     1.085334       0.6841676     0.5369359      0.4091254 
1 1 1 17 1  28 o 0.2765484      0.3603129     0.2923750      0.7099180     0.2710569      0.4181773 
1 1 1 17 1  29 o -0.1559276     0.4918617     -0.1596225     1.002494      -0.1547562     0.5644737 
1 1 1 17 2  0  o 10.08130       0.6515806     10.08130       0.4607371     ?              ?         
1 1 1 17 2  1  o 30.87260       0.6071470     31.39986       0.8577675     30.34320       0.8595060 
1 1 1 17 2  2  f 79.06935       1.019885      78.48905       1.436343      79.65944       1.448403  
1 1 1 17 2  3  f 42.10176       0.6713974     41.28174       0.9151337     43.05767       0.9880521 
1 1 1 17 2  4  f 32.54609       0.5892990     33.07909       0.8066087     31.93589       0.8630394 
1 1 1 17 2  5  o 17.32609       0.4827815     16.40332       0.6636457     18.36337       0.7036185 
1 1 1 17 2  6  o 20.02649       0.5006528     19.57737       0.6790772     20.56130       0.7410325 
1 1 1 17 2  7  o 9.867347       0.4318866     9.797273       0.6003225     9.942524       0.6218033 
1 1 1 17 2  8  o 7.937933       0.4063321     8.151902       0.5602395     7.700458       0.5902120 
1 1 1 17 2  9  o 4.044043       0.3675878     3.487208       0.5395488     4.526375       0.5021582 
1 1 1 17 2  10 f 3.714957       0.3401539     3.444496       0.5038622     3.941439       0.4610801 
1 1 1 17 2  11 o 7.246601       0.3372909     6.852880       0.5058448     7.561783       0.4525889 
1 1 1 17 2  12 o 1.456372       0.2903154     1.017329       0.4403242     1.793991       0.3861293 
1 1 1 17 2  13 o 3.676095       0.2969165     3.293057       0.4831574     3.908530       0.3763722 
1 1 1 17 2  14 o 15.32214       0.3966331     14.79705       0.5653647     15.83105       0.5565860 
1 1 1 17 2  15 o 9.621186       0.3261527     9.736541       0.4644851     9.508991       0.4580806 
1 1 1 17 2  16 o 1.430815       0.2238476     1.231889       0.2734041     1.835314       0.3898694 
1 1 1 17 2  17 o 2.226560       0.4286475     1.909338       0.6739485     2.442060       0.5554808 
1 1 1 17 2  18 o 3.697761       0.4348930     3.685478       0.6906489     3.705831       0.5598171 
1 1 1 17 2  19 o 2.669370       0.4166173     2.533818       0.6920260     2.746427       0.5217650 
1 1 1 17 2  20 o 2.933338       0.3794954     2.284478       0.6820094     3.224340       0.4567339 
1 1 1 17 2  21 o 0.8570914      0.3779549     0.1767843      0.6875837     1.151652       0.4524393 
1 1 1 17 2  22 f 0.9672993      0.3743346     1.210975       0.6976966     0.8687994      0.4435866 
1 1 1 17 2  23 o 0.8904815      0.3761560     1.617520       0.7223576     0.6199865      0.4406086 
1 1 1 17 2  24 o 1.079197       0.3779068     1.239832       0.7309951     1.020605       0.4414798 
1 1 1 17 2  25 o 0.1932216      0.3849723     1.092867       0.7521695     -0.1260911     0.4481137 
1 1 1 17 2  26 o 0.3947238      0.4001601     -0.4240057     0.7516599     0.7185399      0.4727161 
1 1 1 17 2  27 o 0.3156244      0.4147708     0.2006325      0.7794903     0.3610421      0.4898800 
1 1 1 17 2  28 o -0.5276577     0.4200467     -0.9058854     0.7652678     -0.3645715     0.5025109 
1 1 1 17 3  0  o 8.874793       0.6684641     8.874793       0.4726755     ?              ?         
1 1 1 17 3  1  o 5.739662       0.4374081     5.824794       0.5896043     5.635457       0.6523155 
1 1 1 17 3  2  o 12.98805       0.4718826     14.15371       0.6539493     11.72175       0.6815944 
1 1 1 17 3  3  o 7.022489       0.4417434     6.978266       0.6084976     7.071764       0.6423121 
1 1 1 17 3  4  o 7.618660       0.4693542     7.159691       0.6754731     8.047137       0.6526492 
1 1 1 17 3  5  o 10.68748       0.4574337     10.44095       0.6425574     10.94080       0.6513501 
1 1 1 17 3  6  o 14.24368       0.4685212     13.31396       0.6496616     15.25127       0.6763203 
1 1 1 17 3  7  f 26.92677       0.5536919     27.10064       0.7613171     26.73153       0.8067322 
1 1 1 17 3  8  f 65.42446       0.8722158     65.65644       1.201357      65.16589       1.268368  
1 1 1 17 3  9  o 51.64972       0.7406262     52.54968       1.020690      50.64897       1.076331  
1 1 1 17 3  10 o 49.85576       0.6937462     51.57046       1.002624      48.28076       0.9609155 
1 1 1 17 3  11 o 13.89028       0.3805468     14.70917       0.5711982     13.23673       0.5102872 
1 1 1 17 3  12 o 23.51517       0.4593402     23.30683       0.7066121     23.66764       0.6044881 
1 1 1 17 3  13 o 27.63426       0.4805859     27.59116       0.7277839     27.66759       0.6399575 
1 1 1 17 3  14 o 26.95059       0.4967248     26.60334       0.7027066     27.29739       0.7022436 
1 1 1 17 3  15 o 7.300621       0.5058113     6.365865       0.7450554     8.099761       0.6888916 
1 1 1 17 3  16 o 0.9195426      0.4601047     0.8273871      0.7068807     0.9872859      0.6060641 
1 1 1 17 3  17 o 0.7381325      0.4041767     1.591926       0.7173660     0.3410574      0.4892161 
1 1 1 17 3  18 f 0.6944787      0.4101042     -0.3987467     0.7101597     1.241465       0.5023301 
1 1 1 17 3  19 o 0.7115353      0.4095671     1.145293       0.7350855     0.5162597      0.4932172 
1 1 1 17 3  20 o 0.1311738      0.4049178     0.2500976      0.7342194     0.7919420E-01  0.4854089 
1 1 1 17 3  21 o 0.5077692      0.4063002     1.257856       0.7356516     0.1785399      0.4873777 
1 1 1 17 3  22 o -0.2676003     0.4091812     -0.5162118E-01 0.7364864     -0.3640347     0.4921241 
1 1 1 17 3  23 f 0.8988543      0.4115818     0.9790063E-01  0.7545232     1.238137       0.4910773 
1 1 1 17 3  24 o -0.5808110E-03 0.4251602     -0.9337477     0.7723508     0.4051304      0.5092645 
1 1 1 17 3  25 f 0.2624263      0.4378925     0.1309132      0.7910800     0.3205236      0.5257922 
1 1 1 17 3  26 o 0.4343924      0.4427342     0.2100050      0.8270981     0.5245070      0.5241500 
1 1 1 17 3  27 o -0.2298212     0.4655779     -0.6260873     0.8363043     -0.5185143E-01 0.5604593 
1 1 1 17 3  28 o 0.2555794      0.4599827     1.069628       0.8221100     -0.1154023     0.5549847 
1 1 1 17 4  0  o 19.45157       0.8313515     19.45157       0.5878543     ?              ?         
1 1 1 17 4  1  o 10.68384       0.4752931     10.22834       0.6510410     11.20368       0.6954904 
1 1 1 17 4  2  o 0.4262806      0.4336319     0.6017093      0.5987923     0.2328260      0.6288043 
1 1 1 17 4  3  o 2.621150       0.4305915     2.995211       0.5970311     2.215657       0.6216089 
1 1 1 17 4  4  o 12.30902       0.4716333     11.85615       0.6386739     12.85217       0.6994409 
1 1 1 17 4  5  o 17.98508       0.5055057     17.91024       0.7032676     18.06508       0.7271146 
1 1 1 17 4  6  o 44.42642       0.6972152     46.34907       0.9670836     42.34553       1.006096  
1 1 1 17 4  7  o 38.60939       0.6486316     39.77626       0.9002835     37.34991       0.9353271 
1 1 1 17 4  8  o 33.96116       0.5991589     36.04447       0.8397605     31.80092       0.8551258 
1 1 1 17 4  9  o 4.251194       0.3817989     4.537990       0.5405619     3.965702       0.5393304 
1 1 1 17 4  10 o 4.485504       0.3674292     3.923344       0.5311478     5.001390       0.5088179 
1 1 1 17 4  11 o 30.85849       0.5166807     30.74148       0.7512699     30.96350       0.7117264 
1 1 1 17 4  12 o 20.79437       0.4397678     22.18211       0.6924834     19.85643       0.5693054 
1 1 1 17 4  13 o 4.294506       0.2872280     4.481428       0.4760377     4.187498       0.3601787 
1 1 1 17 4  14 o -0.4427904E-01 0.2727335     0.5344507      0.3392499     -1.101789      0.4585895 
1 1 1 17 4  15 o 3.299457       0.4530912     2.054413       0.7440939     4.033123       0.5711948 
1 1 1 17 4  16 o 7.036508       0.4725626     7.153318       0.7658530     6.964691       0.6005132 
1 1 1 17 4  17 o 13.18856       0.5220133     13.24761       0.8620182     13.15437       0.6559677 
1 1 1 17 4  18 o 15.32017       0.5357581     15.42706       0.8738548     15.25579       0.6781686 
1 1 1 17 4  19 o 8.306744       0.4700279     8.467577       0.8003702     8.222075       0.5807143 
1 1 1 17 4  20 o 1.243128       0.4335091     0.5077593      0.7558572     1.603591       0.5291974 
1 1 1 17 4  21 o -0.2076501     0.4363897     -0.2096143     0.7714480     -0.2067259     0.5291961 
1 1 1 17 4  22 f 2.459681       0.4598392     3.579051       0.8753169     2.032997       0.5404201 
1 1 1 17 4  23 f 0.6591731E-01  0.4457311     -0.3953451     0.7856244     0.2848789      0.5412837 
1 1 1 17 4  24 o 0.8724138      0.4626126     0.7550696E-01  0.8177244     1.247519       0.5610217 
1 1 1 17 4  25 o -0.1846064E-01 0.4584936     1.829448       0.8429168     -0.7949282     0.5463942 
1 1 1 17 4  26 o 0.8068415      0.4847845     1.885559       0.8619621     0.3077579      0.5863016 
1 1 1 17 4  27 o 0.9135050E-01  0.5082284     0.7487457      0.8846719     -0.2324851     0.6209137 
1 1 1 17 4  28 o 0.3720472      0.4974690     -1.247541      0.8681505     1.163830       0.6070099 
1 1 1 17 5  0  f 1.058162       0.6050182     1.058162       0.4278125     ?              ?         
1 1 1 17 5  1  o 7.626029       0.4516802     8.268910       0.6457196     7.010089       0.6320444 
1 1 1 17 5  2  o 11.33175       0.4688297     11.46808       0.6707960     11.20155       0.6555185 
1 1 1 17 5  3  o 1.250415       0.4379009     0.6707280      0.5937392     1.941836       0.6484408 
1 1 1 17 5  4  o 1.625339       0.4322636     1.549618       0.5890701     1.713684       0.6362823 
1 1 1 17 5  5  o 1696.876       87.31581      1696.876       87.31581      ?              ?         
1 1 1 17 5  6  o 40.38190       0.6716720     40.21497       0.9144518     40.57748       0.9897905 
1 1 1 17 5  7  o 44.17517       0.6990869     44.42905       0.9627492     43.89200       1.016778  
1 1 1 17 5  8  o 70.92266       0.9238203     70.74306       1.266232      71.12706       1.350826  
1 1 1 17 5  9  o 93.02557       1.125920      93.25487       1.551830      92.77070       1.636092  
1 1 1 17 5  10 o 80.15202       1.002458      81.21467       1.389712      78.99928       1.447429  
1 1 1 17 5  11 o 24.84551       0.5025448     25.77733       0.7005476     23.85760       0.7213188 
1 1 1 17 5  12 o 4.579204       0.3180207     4.715537       0.5363666     4.505292       0.3949273 
1 1 1 17 5  13 o 0.7625910      0.2502854     0.7499033      0.4407093     0.7686313      0.3040813 
1 1 1 17 5  14 o 1.717466       0.2486966     1.777593       0.3180803     1.622899       0.3989073 
1 1 1 17 5  15 o 5.372392       0.4799742     5.238566       0.7867407     5.451731       0.6057677 
1 1 1 17 5  16 o 4.918616       0.4859443     5.081841       0.7809920     4.815503       0.6207398 
1 1 1 17 5  17 o 2.144156       0.4574919     2.430120       0.7900422     1.999888       0.5611498 
1 1 1 17 5  18 o 2.068578       0.4599189     1.940284       0.8140926     2.128721       0.5573913 
1 1 1 17 5  19 o 2.083816       0.4631935     1.476191       0.8049844     2.384576       0.5663431 
1 1 1 17 5  20 o 1.413307       0.4589816     0.7764492      0.8147839     1.709336       0.5555058 
1 1 1 17 5  21 f 1.576729       0.4644223     1.043123       0.8166663     1.831779       0.5646070 
1 1 1 17 5  22 o 0.1147808      0.4482084     0.5963773      0.8110933     -0.9693078E-01 0.5377760 
1 1 1 17 5  23 o 0.3838844      0.4766039     0.6003321      0.8064218     0.2676971      0.5908334 
1 1 1 17 5  24 o 1.589275       0.4893323     2.025059       0.8324992     1.359239       0.6048489 
1 1 1 17 5  25 o 0.8264798      0.5012932     1.427410       0.8765575     0.5344222      0.6110862 
1 1 1 17 5  26 o 0.5495364E-01  0.5147254     -0.7038581     0.9084842     0.4136990      0.6246597 
1 1 1 17 5  27 o -0.7356860E-01 0.5222820     -0.3465754     0.9052256     0.6266067E-01  0.6394481 
1 1 1 17 5  28 o 0.2294145      0.5444226     0.6915498      0.9447384     -0.3574440E-03 0.6661553 
1 1 1 17 6  0  o 42.98384       0.9845340     42.98384       0.6961706     ?              ?         
1 1 1 17 6  1  o 31.26235       0.6082526     31.48055       0.8647634     31.04869       0.8557064 
1 1 1 17 6  2  o 16.39317       0.5039627     16.03918       0.7105700     16.75146       0.7148712 
1 1 1 17 6  3  o 15.80447       0.5057325     15.66262       0.7108969     15.94981       0.7196103 
1 1 1 17 6  4  o 37.28255       0.6474218     37.66265       0.9174398     36.90549       0.9137567 
1 1 1 17 6  5  o 31.51619       0.6106846     31.63468       0.8372788     31.38151       0.8926556 
1 1 1 17 6  6  o 12.26101       0.4874735     12.69605       0.6773033     11.79347       0.7021511 
1 1 1 17 6  7  o 5.804822       0.4395948     6.567578       0.6142431     5.003969       0.6293956 
1 1 1 17 6  8  o 3.581195       0.4179937     4.323412       0.5845937     2.804817       0.5978955 
1 1 1 17 6  9  f 9.130928       0.4244466     9.003489       0.5984499     9.259919       0.6020829 
1 1 1 17 6  10 o 25.02703       0.5192177     25.11072       0.7348043     24.94358       0.7337661 
1 1 1 17 6  11 o 11.44294       0.4042265     11.18720       0.6355369     11.61669       0.5238425 
1 1 1 17 6  12 o 12.72673       0.3895279     12.11846       0.6019213     13.16502       0.5109432 
1 1 1 17 6  13 o 12.60843       0.3422549     12.53122       0.5600803     12.65444       0.4323762 
1 1 1 17 6  14 o 13.19753       0.3637624     13.04956       0.4932385     13.37398       0.5386284 
1 1 1 17 6  15 o 7.168180       0.5057545     7.211228       0.7959483     7.139030       0.6549750 
1 1 1 17 6  16 f 1.728878       0.4721817     2.348912       0.7906234     1.385109       0.5887023 
1 1 1 17 6  17 o 0.1694281      0.4649120     0.2694363      0.7875931     0.1159441      0.5759651 
1 1 1 17 6  18 f 2.535176       0.4706693     2.205086       0.8036363     2.707517       0.5806816 
1 1 1 17 6  19 f 4.285848       0.4955730     4.726307       0.8354827     4.046758       0.6155526 
1 1 1 17 6  20 o 11.06979       0.5521070     12.12133       0.9224427     10.48283       0.6891839 
1 1 1 17 6  21 o 6.962074       0.5421458     6.104375       0.8998800     7.450764       0.6792567 
1 1 1 17 6  22 f 1.596424       0.5094013     2.060164       0.8522174     1.338627       0.6354070 
1 1 1 17 6  23 o 0.4985717      0.4991296     -0.3506685     0.8450141     0.9536440      0.6185700 
1 1 1 17 6  24 o -0.4817308     0.5133255     -0.9328023     0.8661927     -0.2375609     0.6372913 
1 1 1 17 6  25 o 0.7967249      0.5367430     0.9457327      0.9114637     0.7176200      0.6641048 
1 1 1 17 6  26 o 1.484832       0.5469577     1.952661       0.9675671     1.265128       0.6630666 
1 1 1 17 6  27 o -0.1469324     0.5549784     -0.1883098     0.9535118     -0.1257338     0.6824935 
1 1 1 17 6  28 o 0.3225892E-01  0.5805048     -0.2364139E-01 1.019276      0.5909549E-01  0.7062336 
1 1 1 17 7  0  o 1.108817       0.6419569     1.108817       0.4539320     ?              ?         
1 1 1 17 7  1  o 7.727071       0.4777003     7.271024       0.6693962     8.200340       0.6819184 
1 1 1 17 7  2  o 28.46599       0.5959496     28.37583       0.8439845     28.55565       0.8416207 
1 1 1 17 7  3  o 19.32815       0.5343617     19.86860       0.7538229     18.78229       0.7575943 
1 1 1 17 7  4  o 20.62933       0.5509133     20.86840       0.7632654     20.36933       0.7959820 
1 1 1 17 7  5  o 13.31601       0.4948531     13.47057       0.6990412     13.16076       0.7006175 
1 1 1 17 7  6  o 12.40460       0.4766891     13.34171       0.6793394     11.49565       0.6690584 
1 1 1 17 7  7  o 9.581875       0.4578587     9.332688       0.6406193     9.842078       0.6546280 
1 1 1 17 7  8  o 6.732491       0.4333362     6.428471       0.6062533     7.050070       0.6196254 
1 1 1 17 7  9  o 10.82721       0.4270657     10.17246       0.6267832     11.39458       0.5834649 
1 1 1 17 7  10 f 1.692672       0.3664425     1.502896       0.5633943     1.831822       0.4824308 
1 1 1 17 7  11 o 0.8152227      0.3569327     1.257243       0.5766594     0.5407023      0.4544496 
1 1 1 17 7  12 o 1.185569       0.3307455     0.4232462      0.5440983     1.632352       0.4165401 
1 1 1 17 7  13 f 1.152698       0.2996273     1.709154       0.4726118     0.7787306      0.3874418 
1 1 1 17 7  14 o 2.195791       0.2840282     1.859139       0.3937874     2.560841       0.4100598 
1 1 1 17 7  15 o 2.954943       0.4841034     2.526428       0.7979035     3.204574       0.6089994 
1 1 1 17 7  16 o 0.4112882      0.4757212     0.8091462      0.7701994     0.1658797      0.6049005 
1 1 1 17 7  17 f 0.4777294      0.4895570     1.611993       0.8170220     -0.1576308     0.6114864 
1 1 1 17 7  18 o 3.928320       0.5090953     3.103848       0.8447075     4.398627       0.6379827 
1 1 1 17 7  19 o 7.803890       0.5382139     8.183025       0.9016377     7.594009       0.6708438 
1 1 1 17 7  20 o 8.172698       0.5572900     8.668139       0.9162642     7.881811       0.7020811 
1 1 1 17 7  21 o 1.897257       0.5055834     1.267392       0.8842482     2.203182       0.6162521 
1 1 1 17 7  22 o 1.293528       0.5169273     1.412882       0.8627954     1.226694       0.6456336 
1 1 1 17 7  23 o 1.227052       0.5296669     1.841285       0.8930448     0.8937314      0.6578674 
1 1 1 17 7  24 o 2.844666       0.5542118     3.979265       0.9449550     2.249755       0.6842522 
1 1 1 17 7  25 o 1.121819       0.5571160     1.176297       0.9640086     1.094500       0.6826597 
1 1 1 17 7  26 o -0.4840317     0.5671936     -0.3844225E-01 0.9471517     -0.7331679     0.7082239 
1 1 1 17 7  27 o 0.4887600      0.5847327     0.2024677      1.010767      0.6327667      0.7168655 
1 1 1 17 8  0  o 1.253126       0.6491270     1.253126       0.4590021     ?              ?         
1 1 1 17 8  1  o 6.685008       0.4762077     6.643879       0.6686154     6.727351       0.6784101 
1 1 1 17 8  2  o 35.09917       0.6527922     36.16224       0.9272124     34.05437       0.9192148 
1 1 1 17 8  3  o 39.00037       0.6791997     39.49305       0.9603120     38.50725       0.9607549 
1 1 1 17 8  4  o 14.96016       0.5182740     14.24652       0.7357832     15.66292       0.7301496 
1 1 1 17 8  5  f 15.58531       0.5111806     15.52623       0.7257925     15.64345       0.7200785 
1 1 1 17 8  6  o 31.10667       0.6053367     30.76188       0.8558502     31.45182       0.8563007 
1 1 1 17 8  7  o 21.09001       0.5083308     19.78202       0.7483025     22.21081       0.6926906 
1 1 1 17 8  8  o 20.79611       0.4958214     21.51274       0.7475840     20.23332       0.6624961 
1 1 1 17 8  9  o 9.065793       0.4185680     8.161187       0.6386003     9.747128       0.5542170 
1 1 1 17 8  10 o 11.39666       0.4426579     12.05663       0.6930203     10.94184       0.5753101 
1 1 1 17 8  11 o 17.58918       0.4718564     18.07997       0.7196181     17.21902       0.6249603 
1 1 1 17 8  12 f 20.10408       0.5122387     20.91630       0.8005121     19.54092       0.6665717 
1 1 1 17 8  13 o 15.77110       0.4187929     15.54384       0.6507664     15.93176       0.5471455 
1 1 1 17 8  14 o 3.395656       0.2835961     2.844478       0.4591494     3.735629       0.3606033 
1 1 1 17 8  15 o 1.173545       0.5098135     1.759121       0.8235644     0.8097413      0.6491421 
1 1 1 17 8  16 o 0.9082396      0.4941854     2.088746       0.8085660     0.2043078      0.6243767 
1 1 1 17 8  17 o 0.9976217      0.4973083     0.5720258      0.8132847     1.251793       0.6285026 
1 1 1 17 8  18 o 0.2132136      0.5193756     -0.1792841     0.8437911     0.4526276      0.6590087 
1 1 1 17 8  19 f 1.401011       0.5234163     1.217860       0.8942198     1.496465       0.6455610 
1 1 1 17 8  20 f -0.7075401E-01 0.5250446     0.3292418      0.8802824     -0.2916314     0.6541388 
1 1 1 17 8  21 o -0.5374923     0.5192562     0.6389399      0.8734516     -1.180517      0.6457570 
1 1 1 17 8  22 o 0.6039581      0.5439916     1.309977       0.9097388     0.2110093      0.6786978 
1 1 1 17 8  23 o -0.2641887     0.5488114     -0.8663310     0.9346929     0.5262411E-01  0.6779860 
1 1 1 17 8  24 o 0.6970139      0.5831050     1.179663       0.9710941     0.4248699      0.7291972 
1 1 1 17 8  25 o 1.046276       0.5802816     1.227334       0.9627748     0.9429779      0.7272116 
1 1 1 17 8  26 o 3.549417       0.6057005     2.035664       0.9773327     4.493407       0.7717893 
1 1 1 17 8  27 o 0.6860902      0.6032512     2.095069       1.017241      -0.7821027E-01 0.7492104 
1 1 1 17 9  0  o 35.98158       0.9273276     35.98158       0.6557196     ?              ?         
1 1 1 17 9  1  o 40.15700       0.6877950     40.61176       0.9770083     39.71021       0.9684266 
1 1 1 17 9  2  o 35.69038       0.6569520     37.71061       0.9416254     33.77443       0.9170047 
1 1 1 17 9  3  o 17.09802       0.5333071     17.88862       0.7678375     16.36115       0.7412834 
1 1 1 17 9  4  o 17.37669       0.5256625     17.32289       0.7402747     17.43141       0.7465634 
1 1 1 17 9  5  o 3.068655       0.4550374     3.167338       0.6481717     2.972755       0.6389673 
1 1 1 17 9  6  o 14.87403       0.4841186     15.20100       0.7024891     14.57829       0.6680989 
1 1 1 17 9  7  o 11.51869       0.4559751     12.01774       0.6874666     11.12669       0.6092817 
1 1 1 17 9  8  o 18.95039       0.4945597     19.36513       0.7358392     18.60870       0.6679109 
1 1 1 17 9  9  o 15.78432       0.4609060     15.92896       0.6862840     15.66547       0.6220751 
1 1 1 17 9  10 f 9.509810       0.4404234     9.198215       0.7273344     9.690207       0.5534195 
1 1 1 17 9  11 o 8.776207       0.4166998     9.049318       0.6670629     8.601432       0.5336270 
1 1 1 17 9  12 f 18.18616       0.4718596     18.17210       0.7311741     18.19620       0.6177052 
1 1 1 17 9  13 o 3.944931       0.3555949     4.306033       0.5820377     3.729876       0.4491703 
1 1 1 17 9  14 o 1.126780       0.3143664     1.372871       0.5136284     0.9793738      0.3975201 
1 1 1 17 9  15 o 5.961893       0.2631386     6.535531       0.4712785     5.702052       0.3171853 
1 1 1 17 9  16 o 6.587490       0.5333970     5.508320       0.8619043     7.257341       0.6790520 
1 1 1 17 9  17 o 4.309673       0.5420938     5.171191       0.8834236     3.789357       0.6865467 
1 1 1 17 9  18 o 1.823651       0.5346791     2.264302       0.8882375     1.573248       0.6695791 
1 1 1 17 9  19 o 2.340334       0.5240245     3.093964       0.9040837     1.959049       0.6430637 
1 1 1 17 9  20 f 1.573379       0.5471253     0.7852787      0.9136568     2.013994       0.6831586 
1 1 1 17 9  21 o 0.1049970E-01  0.5453125     -0.7202522     0.9304475     0.3928241      0.6730121 
1 1 1 17 9  22 o -0.2594555     0.5928891     0.6174045      0.9633828     -0.7940335     0.7522103 
1 1 1 17 9  23 o 0.4829294      0.5776841     0.7781214      0.9554650     0.3128465      0.7252588 
1 1 1 17 9  24 o 0.4741342      0.5919993     -0.9126778     0.9808515     1.268806       0.7424862 
1 1 1 17 9  25 o 1.982303       0.6032680     1.510698       1.006000      2.247126       0.7538520 
1 1 1 17 9  26 o 1.361796       0.6248977     2.249192       1.052854      0.8791721      0.7764501 
1 1 1 17 10 0  f 30.74278       0.8875989     30.74278       0.6276272     ?              ?         
1 1 1 17 10 1  f 23.64140       0.5826359     23.56081       0.8240699     23.72195       0.8238732 
1 1 1 17 10 2  o 5.743731       0.4841616     5.695847       0.6950990     5.788856       0.6747693 
1 1 1 17 10 3  o 9.271854       0.4940331     9.306190       0.7074760     9.239178       0.6901816 
1 1 1 17 10 4  o 21.41699       0.5401887     20.99577       0.7882981     21.78989       0.7417126 
1 1 1 17 10 5  o 37.92638       0.6444989     37.50195       0.9487409     38.29009       0.8782532 
1 1 1 17 10 6  o 24.18359       0.5458056     23.68730       0.8035544     24.60869       0.7436884 
1 1 1 17 10 7  o 7.200944       0.4393001     7.406275       0.6567746     7.034707       0.5909536 
1 1 1 17 10 8  o 2.688922       0.4217973     2.649432       0.6257324     2.721810       0.5710357 
1 1 1 17 10 9  o -0.3974014E-01 0.4226188     0.2014320      0.6623746     -0.2053279     0.5488508 
1 1 1 17 10 10 o 3.571655       0.4055587     3.497768       0.6388939     3.621521       0.5248656 
1 1 1 17 10 11 o 12.56560       0.4453911     12.50605       0.7223811     12.60212       0.5657138 
1 1 1 17 10 12 o 15.09312       0.4504181     14.73160       0.7061244     15.34112       0.5848514 
1 1 1 17 10 13 o 13.86501       0.4261756     13.09826       0.6745558     14.37437       0.5498033 
1 1 1 17 10 14 o 7.696668       0.3740498     8.362359       0.6134865     7.302767       0.4719136 
1 1 1 17 10 15 o 3.461385       0.2813844     2.799881       0.5072019     3.755507       0.3382030 
1 1 1 17 10 16 f 1.705919       0.2481835     1.670673       0.4269139     1.723912       0.3050218 
1 1 1 17 10 17 o 1.769756       0.5338542     1.904596       0.8686429     1.687911       0.6767491 
1 1 1 17 10 18 o 1.089152       0.5567126     1.443611       0.9300748     0.8912498      0.6949592 
1 1 1 17 10 19 o 0.3311998      0.5556933     1.090523       0.9292454     -0.9150527E-01 0.6933233 
1 1 1 17 10 20 o 1.342927       0.6299739     1.099772       1.073148      1.470778       0.7781659 
1 1 1 17 10 21 o 1.178715       0.5637347     2.561377       0.9456566     0.4164798      0.7021341 
1 1 1 17 10 22 o 2.445607       0.5958560     2.903114       1.013906      2.204233       0.7364515 
1 1 1 17 10 23 o 1.077483       0.6026922     0.1484329      1.017020      1.580344       0.7482281 
1 1 1 17 10 24 o 1.240441       0.6202160     0.1732909      1.012394      1.881569       0.7847106 
1 1 1 17 10 25 o 0.2828511      0.6292102     1.089947       1.042477      -0.1796683     0.7891677 
1 1 1 17 10 26 o 0.7754478      0.6399985     1.062344       1.075230      0.6180349      0.7964512 
1 1 1 17 11 0  o 4.686451       0.6779074     4.686451       0.4793529     ?              ?         
1 1 1 17 11 1  o 3.120417       0.4762070     3.233658       0.6681413     3.003498       0.6789046 
1 1 1 17 11 2  o 6.094021       0.4825163     5.754560       0.6858273     6.426744       0.6789864 
1 1 1 17 11 3  o 7.839251       0.4671603     7.365888       0.6833397     8.254612       0.6401063 
1 1 1 17 11 4  o 24.96559       0.5608529     24.03277       0.8212081     25.78106       0.7678130 
1 1 1 17 11 5  o 44.00239       0.6964172     44.23544       1.029378      43.80568       0.9456996 
1 1 1 17 11 6  o 49.82035       0.7356426     51.09089       1.092140      48.76514       0.9953018 
1 1 1 17 11 7  o 31.41967       0.5949668     32.59116       0.9031639     30.52153       0.7908065 
1 1 1 17 11 8  f 12.17204       0.4615212     12.14640       0.6912658     12.19265       0.6199257 
1 1 1 17 11 9  o 11.00167       0.4658799     11.18692       0.7291879     10.87389       0.6055991 
1 1 1 17 11 10 o 1.842020       0.4192484     2.022961       0.6622995     1.721034       0.5415694 
1 1 1 17 11 11 o 1.873810       0.4075774     1.010376       0.6450780     2.447528       0.5258317 
1 1 1 17 11 12 o 1.886457       0.3953746     1.528267       0.6289830     2.120444       0.5083674 
1 1 1 17 11 13 o 4.548462       0.3879619     4.527488       0.6277907     4.561421       0.4934682 
1 1 1 17 11 14 o 6.179956       0.3800079     6.254221       0.6077439     6.132282       0.4869378 
1 1 1 17 11 15 o 4.962716       0.3169473     4.736371       0.5807826     5.058715       0.3782347 
1 1 1 17 11 16 o 1.842028       0.2773461     2.399947       0.5294788     1.631064       0.3255865 
1 1 1 17 11 17 o 1.329588       0.2429814     0.9111480      0.4782260     1.475201       0.2821087 
1 1 1 17 11 18 o 0.8108271      0.5581346     -0.9782400E-01 0.9192337     1.341418       0.7024368 
1 1 1 17 11 19 o 1.311859       0.5764821     2.623214       0.9566615     0.5641699      0.7223679 
1 1 1 17 11 20 o 4.259799       0.5961437     3.856823       0.9777316     4.498259       0.7521219 
1 1 1 17 11 21 o 3.738406       0.6484646     4.373748       1.236687      3.497476       0.7615565 
1 1 1 17 11 22 o 2.645139       0.6242781     2.721928       1.051746      2.603369       0.7757056 
1 1 1 17 11 23 o 2.689585       0.6231295     2.685205       1.036658      2.692062       0.7797132 
1 1 1 17 11 24 o 1.297484       0.6282189     -0.5051014     1.040745      2.330765       0.7879634 
1 1 1 17 11 25 f -0.8224508     0.6502547     -2.817866      1.080849      0.3094514      0.8140534 
1 1 1 17 12 0  o -1.641905      0.6352266     -1.641905      0.4491730     ?              ?         
1 1 1 17 12 1  o 4.693566       0.4747490     4.834496       0.6675940     4.549379       0.6752646 
1 1 1 17 12 2  o 10.17015       0.4752977     9.950134       0.6986673     10.35968       0.6484799 
1 1 1 17 12 3  o 8.266075       0.4641390     7.616149       0.6844087     8.819496       0.6315558 
1 1 1 17 12 4  o 4.124776       0.4487363     3.701988       0.6655193     4.477224       0.6076405 
1 1 1 17 12 5  o 4.867671       0.4583689     5.603028       0.6785934     4.250625       0.6216114 
1 1 1 17 12 6  o 11.69155       0.4779858     12.25337       0.7024229     11.20706       0.6523042 
1 1 1 17 12 7  o 18.20594       0.5091794     18.33784       0.7552353     18.09602       0.6894320 
1 1 1 17 12 8  o 9.227311       0.4743731     9.773737       0.7415284     8.848773       0.6171869 
1 1 1 17 12 9  o 2.577129       0.4333334     2.598928       0.6845657     2.562554       0.5597553 
1 1 1 17 12 10 f 3.088077       0.4290302     3.407370       0.6881166     2.885024       0.5487474 
1 1 1 17 12 11 o 0.9836721      0.4161097     0.3972161      0.6714256     1.349376       0.5302066 
1 1 1 17 12 12 o 0.7547346      0.3998589     1.194682       0.6554075     0.4938922      0.5046618 
1 1 1 17 12 13 o 2.396894       0.3954168     2.878059       0.6534564     2.118926       0.4966690 
1 1 1 17 12 14 f 4.147727       0.4009301     4.605951       0.6423234     3.855245       0.5131743 
1 1 1 17 12 15 o 7.650436       0.3588911     8.632175       0.6370167     7.193914       0.4343937 
1 1 1 17 12 16 o 4.099833       0.3312128     4.729367       0.6008412     3.825026       0.3969752 
1 1 1 17 12 17 o 0.3550712      0.2914644     -0.4335373E-01 0.5437819     0.5156751      0.3452466 
1 1 1 17 12 18 o 0.8874602      0.2680027     1.323509       0.5156354     0.7260656      0.3137040 
1 1 1 17 12 19 o 2.852477       0.2924748     3.528721       0.4506372     2.360298       0.3844473 
1 1 1 17 12 20 o 18.48702       1.213427      2.715767       1.279733      158.9607       3.819298  
1 1 1 17 12 21 o 1.095546       0.6077390     2.383651       1.028104      0.4036865      0.7534771 
1 1 1 17 12 22 o 1.566584       0.6370442     0.7445405      1.046736      2.050189       0.8028517 
1 1 1 17 12 23 o 0.4920372      0.6276826     -0.2794829     1.027260      0.9517040      0.7929183 
1 1 1 17 12 24 o 0.5169528E-01  0.6537579     -1.209689      1.084033      0.7726992      0.8195730 
1 1 1 17 12 25 o 0.7995179      0.6754039     0.8385885      1.107065      0.7763539      0.8524210 
1 1 1 17 13 0  f 5.315544       0.6727002     5.315544       0.4756709     ?              ?         
1 1 1 17 13 1  o 6.644074       0.4649169     6.635449       0.6691951     6.652120       0.6463817 
1 1 1 17 13 2  o 3.339490       0.4501280     3.035515       0.6646978     3.596965       0.6117479 
1 1 1 17 13 3  f 1.124851       0.4401584     0.7401944      0.6452225     1.459677       0.6019807 
1 1 1 17 13 4  o 2.996141       0.4521396     2.977084       0.6644464     3.012576       0.6170274 
1 1 1 17 13 5  f 1.850452       0.4344012     2.125518       0.6412826     1.617207       0.5905238 
1 1 1 17 13 6  o 2.532411       0.4375008     3.196888       0.6496953     1.981102       0.5917900 
1 1 1 17 13 7  o 6.851082       0.4411066     7.689525       0.6611843     6.178587       0.5921476 
1 1 1 17 13 8  o 10.37298       0.4775530     9.799332       0.7505485     10.76320       0.6190211 
1 1 1 17 13 9  o 5.753615       0.4462454     5.757689       0.6963118     5.750775       0.5813142 
1 1 1 17 13 10 f -0.1171149E-02 0.4240772     -0.1514606     0.6866527     0.9150236E-01  0.5392010 
1 1 1 17 13 11 o 0.4017569E-01  0.4134940     0.2695892E-01  0.6864696     0.4770164E-01  0.5180116 
1 1 1 17 13 12 o 1.157611       0.4074662     0.8306919      0.6578680     1.361081       0.5190017 
1 1 1 17 13 13 o 1.302876       0.4021930     1.367387       0.6408502     1.260955       0.5165978 
1 1 1 17 13 14 o 5.259028       0.4189112     6.118459       0.6634522     4.689219       0.5402183 
1 1 1 17 13 15 o 5.075440       0.3604699     5.350466       0.6397318     4.947498       0.4363322 
1 1 1 17 13 16 f 1.556266       0.3425535     1.476221       0.6241160     1.590775       0.4097956 
1 1 1 17 13 17 o 0.7451194      0.3214243     0.6699291      0.6002249     0.7753509      0.3805949 
1 1 1 17 13 18 o 1.425076       0.3185598     1.403196       0.6109310     1.433247       0.3733303 
1 1 1 17 13 19 o 4.295845       0.3248295     5.195774       0.6044273     3.930376       0.3851809 
1 1 1 17 13 20 o 2.707016       0.3210697     1.899730       0.5404695     3.147282       0.3991304 
1 1 1 17 13 21 o 0.4772151      0.2923549     -0.5541299     0.4468820     1.248894       0.3865531 
1 1 1 17 13 22 o 1.030077       0.6240609     1.603191       1.059633      0.7257274      0.7721841 
1 1 1 17 13 23 f 0.3474059      0.6280878     0.4569311E-01  1.064402      0.5085853      0.7779710 
1 1 1 17 13 24 o 0.9460499      0.6536424     0.4029261      1.117680      1.228362       0.8058096 
1 1 1 17 14 0  o 2.231995       0.6158456     2.231995       0.4354686     ?              ?         
1 1 1 17 14 1  o 5.049674       0.4438045     4.717546       0.6253303     5.386741       0.6299641 
1 1 1 17 14 2  o 4.594020       0.4513232     4.374467       0.6572428     4.789930       0.6208461 
1 1 1 17 14 3  o 11.46614       0.4889409     10.54291       0.7073006     12.31110       0.6766509 
1 1 1 17 14 4  o 17.82582       0.5274347     17.74078       0.7811354     17.89709       0.7150487 
1 1 1 17 14 5  o 12.37254       0.4796092     12.69457       0.7143483     12.10824       0.6471582 
1 1 1 17 14 6  o 2.555478       0.4313692     1.914052       0.6521090     3.054527       0.5752001 
1 1 1 17 14 7  o 0.1047608      0.4406399     0.4531651      0.7065854     -0.1169617     0.5636737 
1 1 1 17 14 8  f 0.6753697      0.4435876     0.2774888      0.7214392     0.9172292      0.5624770 
1 1 1 17 14 9  o 0.1231206E-01  0.4550705     0.3116356      0.7247347     -0.1825220     0.5847107 
1 1 1 17 14 10 f -0.1091105     0.4299287     -0.4804147     0.7154307     0.1007699      0.5378839 
1 1 1 17 14 11 o 1.294637       0.4324102     1.732474       0.7154644     1.042672       0.5427527 
1 1 1 17 14 12 o 1.456540       0.4215480     1.091083       0.6846359     1.679693       0.5349863 
1 1 1 17 14 13 o 1.779581       0.4292974     0.8130837      0.6978058     2.368147       0.5445429 
1 1 1 17 14 14 o 0.7438082      0.4253897     0.9733150      0.6789150     0.5954679      0.5458173 
1 1 1 17 14 15 f 2.711510       0.3683810     2.623295       0.6821116     2.747834       0.4377011 
1 1 1 17 14 16 o 6.492553       0.3968839     6.147797       0.7160743     6.645419       0.4768231 
1 1 1 17 14 17 o 1.681491       0.3578997     1.476750       0.6757571     1.761313       0.4219370 
1 1 1 17 14 18 o 0.2066158E-01  0.3494101     0.1765479      0.6600155     -0.4003938E-01 0.4118584 
1 1 1 17 14 19 o 1.309587       0.3471981     0.2185646      0.6623312     1.722992       0.4077050 
1 1 1 17 14 20 o 0.9321042E-02  0.3230499     -0.2129191     0.6489108     0.8254961E-01  0.3724895 
1 1 1 17 14 21 o 1.749839       0.3539316     1.561404       0.6302008     1.836657       0.4277651 
1 1 1 17 14 23 o 0.1991450      0.3486873     -0.7082888     0.5184134     0.9488130      0.4711978 
1 1 1 17 15 0  o 23.61145       0.7846028     23.61145       0.5547979     ?              ?         
1 1 1 17 15 1  o 21.35334       0.5344201     21.78082       0.7577452     20.93025       0.7538382 
1 1 1 17 15 2  o 9.435951       0.4684717     9.214351       0.6626751     9.657343       0.6623632 
1 1 1 17 15 3  o 6.881564       0.4719110     5.841102       0.6892565     7.799686       0.6474677 
1 1 1 17 15 4  o 8.436356       0.4756318     7.521166       0.6949921     9.242620       0.6523235 
1 1 1 17 15 5  o 10.35535       0.4772908     10.93683       0.7090262     9.873499       0.6454294 
1 1 1 17 15 6  o 4.981610       0.4745447     5.523938       0.7428630     4.607732       0.6167976 
1 1 1 17 15 7  o 2.098667       0.4484452     2.272048       0.7009116     1.978506       0.5835035 
1 1 1 17 15 8  o 1.502349       0.4595423     2.378356       0.7537416     0.9840811      0.5797570 
1 1 1 17 15 9  o 0.4921199E-01  0.4547814     0.1952567      0.7573271     -0.3315603E-01 0.5687481 
1 1 1 17 15 10 o 0.6407718      0.4483332     0.5857126      0.7207268     0.6755252      0.5726045 
1 1 1 17 15 11 o 1.564060       0.4452167     1.692062       0.7266417     1.487125       0.5633430 
1 1 1 17 15 12 o 1.716818       0.4414400     1.370742       0.7175788     1.927533       0.5599281 
1 1 1 17 15 13 f 1.926762       0.4402559     2.000766       0.7244049     1.883419       0.5543880 
1 1 1 17 15 14 o 2.323231       0.4347537     1.692510       0.6972869     2.724355       0.5560728 
1 1 1 17 15 15 o 1.298505       0.3894494     1.179315       0.7142307     1.348938       0.4645927 
1 1 1 17 15 16 o 0.5339876      0.3834153     1.360803       0.6965407     0.1745506      0.4592547 
1 1 1 17 15 17 o 0.5046440      0.3809075     1.632541       0.7124922     0.5327148E-01  0.4507263 
1 1 1 17 15 18 o -0.3157783     0.3807666     -0.8728575     0.7168258     -0.9681171E-01 0.4494114 
1 1 1 17 15 19 o 0.5162293      0.3728316     0.6944973      0.7221054     0.4514340      0.4353471 
1 1 1 17 15 20 o 0.1770286      0.3626084     -0.3723801     0.7173010     0.3656243      0.4202614 
1 1 1 17 15 21 o -0.2441799     0.3931393     -0.8646773     0.7100590     0.3012284E-01  0.4721060 
1 1 1 17 15 22 o 1.091565       0.3908872     0.5181346      0.6872694     1.365754       0.4752383 
1 1 1 17 16 0  o 0.1756355      0.6164508     0.1756355      0.4358965     ?              ?         
1 1 1 17 16 1  o 0.2583236      0.4339868     0.6903118      0.6328442     -0.1251960     0.5962861 
1 1 1 17 16 2  o 1.990160       0.4555280     2.089507       0.6514907     1.895130       0.6371755 
1 1 1 17 16 3  o 0.9419559      0.4414077     1.383152       0.6314169     0.5202509      0.6173118 
1 1 1 17 16 4  o 2.078830       0.4633557     1.336858       0.6875526     2.696202       0.6271699 
1 1 1 17 16 5  o 3.852632       0.4662593     2.893035       0.6896168     4.660670       0.6328188 
1 1 1 17 16 6  o 2.811520       0.4792649     2.710651       0.7446645     2.882847       0.6261927 
1 1 1 17 16 7  o 4.417367       0.4868503     4.176422       0.7671528     4.579841       0.6299623 
1 1 1 17 16 8  o 2.146782       0.4796779     3.039824       0.7783438     1.599894       0.6090940 
1 1 1 17 16 9  f 0.5422158      0.4820638     0.7365367      0.7674908     0.4156028      0.6195160 
1 1 1 17 16 10 o 1.288236       0.4628204     1.694017       0.7551635     1.044128       0.5857151 
1 1 1 17 16 11 f -0.2168583     0.4592287     0.8581976      0.7435595     -0.8798009     0.5838996 
1 1 1 17 16 12 o 0.6213915      0.4530384     0.2325373      0.7430376     0.8514833      0.5715683 
1 1 1 17 16 13 o 1.829666       0.4601138     1.719895       0.7502561     1.895841       0.5825192 
1 1 1 17 16 14 o 2.129442       0.4592896     1.767275       0.7496278     2.347104       0.5811414 
1 1 1 17 16 15 o 2.711149       0.4152613     2.010602       0.7554565     3.014468       0.4970966 
1 1 1 17 16 16 o 0.3567126      0.4059140     0.8233911      0.7319730     0.1494645      0.4877883 
1 1 1 17 16 17 o -0.7211109E-01 0.4065425     1.104273       0.7495638     -0.5623890     0.4838994 
1 1 1 17 16 18 o 0.5186661      0.4106032     0.4618298      0.7714460     0.5411316      0.4850104 
1 1 1 17 16 19 o 0.2178818      0.4034195     0.3708478      0.7837407     0.1627441      0.4705431 
1 1 1 17 16 20 o 0.4088669      0.3984977     0.8653429E-01  0.7633638     0.5296116      0.4672114 
1 1 1 17 16 21 o 0.5715271      0.3939849     0.5204192      0.7770368     0.5892129      0.4570986 
1 1 1 17 17 0  o 8.078634       0.7059917     8.078634       0.4992115     ?              ?         
1 1 1 17 17 1  o 7.440272       0.4813943     7.840412       0.6777790     7.032931       0.6838503 
1 1 1 17 17 2  o 4.243114       0.4726639     4.074625       0.6739218     4.406239       0.6631048 
1 1 1 17 17 3  o 1.233556       0.4550501     0.9228301      0.6452721     1.540965       0.6418179 
1 1 1 17 17 4  o 1.998798       0.4538118     1.472752       0.6350906     2.547630       0.6486995 
1 1 1 17 17 5  o 3.909760       0.4940343     3.551946       0.7785428     4.150969       0.6392192 
1 1 1 17 17 6  o 5.427643       0.5069017     5.897728       0.8003215     5.112735       0.6550412 
1 1 1 17 17 7  o 4.136033       0.5060207     4.704523       0.8025863     3.760948       0.6519212 
1 1 1 17 17 8  o 0.7366575      0.4894661     0.5660092      0.7748089     0.8499859      0.6314123 
1 1 1 17 17 9  o 0.6068563      0.4912028     0.6753358      0.7891423     0.5635425      0.6276082 
1 1 1 17 17 10 o -0.4919923E-01 0.4881231     -0.5102720     0.7819513     0.2451788      0.6248096 
1 1 1 17 17 11 o 1.049237       0.4859177     0.8965259      0.7737506     1.148685       0.6244036 
1 1 1 17 17 12 o 3.001975       0.5004158     3.780445       0.8046430     2.510982       0.6390285 
1 1 1 17 17 13 o 3.879689       0.5027097     4.020050       0.7917950     3.784901       0.6506768 
1 1 1 17 17 14 o 1.621822       0.4889234     1.542353       0.7718603     1.675076       0.6318507 
1 1 1 17 17 15 f 0.3486644      0.4206635     -0.6744775     0.7728299     0.7794266      0.5014582 
1 1 1 17 17 16 o 0.3968959      0.4333145     0.1737755      0.7751521     0.4983084      0.5225922 
1 1 1 17 17 17 o -0.7786172E-02 0.4409234     -0.2473378     0.8061014     0.9448322E-01  0.5266995 
1 1 1 17 17 18 o 0.4159566      0.4361921     0.6331999      0.8149003     0.3287182      0.5163988 
1 1 1 17 17 19 o 0.6733497      0.4272265     0.1653804      0.7825973     0.8889999      0.5099112 
1 1 1 17 17 20 o 0.6988646      0.4219673     1.700776       0.8020073     0.3153473      0.4961994 
1 1 1 17 18 0  o 12.90334       0.7249126     12.90334       0.5125906     ?              ?         
1 1 1 17 18 1  o 9.421823       0.5054098     9.461862       0.7268353     9.384339       0.7032625 
1 1 1 17 18 2  o 2.778597       0.4775965     3.521784       0.6720265     2.020191       0.6788725 
1 1 1 17 18 3  f 1.208022       0.5138946     1.098134       0.7067476     1.331301       0.7485673 
1 1 1 17 18 4  o 0.9635285      0.4886474     0.4951161      0.7314038     1.341162       0.6567172 
1 1 1 17 18 5  o 3.493074       0.5037118     2.685282       0.7633003     4.116230       0.6704161 
1 1 1 17 18 6  o 9.133150       0.5406089     8.887408       0.8432119     9.304661       0.7044389 
1 1 1 17 18 7  o 13.93182       0.5742713     13.96328       0.9055361     13.91065       0.7427328 
1 1 1 17 18 8  o 8.865209       0.5484734     9.906581       0.8684434     8.174232       0.7074085 
1 1 1 17 18 9  o 2.307041       0.5280353     2.630821       0.8067965     2.064427       0.6983892 
1 1 1 17 18 10 o 3.348223       0.5098150     3.016452       0.8198360     3.557410       0.6509913 
1 1 1 17 18 11 o 6.436680       0.5339403     6.017512       0.8501967     6.709676       0.6861244 
1 1 1 17 18 12 o 5.422274       0.5274450     4.110087       0.8360170     6.289936       0.6798179 
1 1 1 17 18 13 o 1.609387       0.5124972     1.599016       0.8176025     1.616099       0.6577588 
1 1 1 17 18 14 o 0.7814268      0.5216907     1.138914       0.8254658     0.5436791      0.6731736 
1 1 1 17 18 15 o 0.8228943      0.4548647     0.9322799      0.7930850     0.7692742      0.5552692 
1 1 1 17 18 16 o 1.252786       0.4657930     1.601693       0.8031717     1.075967       0.5717653 
1 1 1 17 18 17 o 0.7712054      0.4546435     1.234083       0.8052355     0.5545958      0.5508438 
1 1 1 17 18 18 o 0.9009352      0.4518455     -0.3072775     0.8213199     1.425325       0.5410877 
1 1 1 17 18 19 f 0.4856421      0.4962018     1.318052       1.016631      0.2253258      0.5685195 
1 1 1 17 19 0  o -0.4423210E-01 0.6669139     -0.4423210E-01 0.4715794     ?              ?         
1 1 1 17 19 1  o 2.146636       0.4765302     1.971100       0.6823354     2.313767       0.6657997 
1 1 1 17 19 2  o 2.554703       0.4951666     2.329276       0.7011715     2.778975       0.6993746 
1 1 1 17 19 3  o 4.025075       0.5112011     3.312414       0.7561608     4.624965       0.6937585 
1 1 1 17 19 4  o 2.443604       0.5128356     2.450733       0.7817411     2.438218       0.6794811 
1 1 1 17 19 5  o 2.274823       0.5163378     3.092407       0.7854118     1.652522       0.6852226 
1 1 1 17 19 6  o 3.051435       0.5348756     2.971220       0.8383184     3.106511       0.6946362 
1 1 1 17 19 7  o 3.934115       0.5475915     3.312679       0.8645832     4.350384       0.7076122 
1 1 1 17 19 8  o 4.105879       0.5385302     3.213483       0.8304961     4.753371       0.7074173 
1 1 1 17 19 9  f 3.095584       0.5423743     2.592993       0.8507055     3.439791       0.7040144 
1 1 1 17 19 10 o 1.050023       0.5722238     1.986708       0.9848167     0.5725993      0.7030893 
1 1 1 17 19 11 o 0.5263636      0.5442325     1.390279       0.8482273     -0.7812947E-01 0.7095327 
1 1 1 17 19 12 o 0.6539968      0.5411909     0.4347431      0.8554593     0.8003019      0.6988043 
1 1 1 17 19 13 o 1.361880       0.5306599     0.9501607      0.8254515     1.651897       0.6927914 
1 1 1 17 19 14 f 0.5243803      0.5209012     1.721404       0.8371673     -0.2318242     0.6653965 
1 1 1 17 19 15 o 2.472658       0.5720280     -0.8202277     0.9249721     4.511969       0.7279173 
1 1 1 17 19 16 o 0.6192548      0.4858725     0.7726235      0.8367866     0.5412480      0.5967779 
1 1 1 17 19 17 o 0.5238265E-01  0.4748707     -0.3202885     0.8433750     0.2253793      0.5746146 
1 1 1 17 20 0  o 1.052066       0.7203021     1.052066       0.5093305     ?              ?         
1 1 1 17 20 1  o 0.9389775      0.5002717     0.9177935      0.7090047     0.9599814      0.7059869 
1 1 1 17 20 2  o 3.169841       0.5004235     3.807535       0.7176354     2.566260       0.6981771 
1 1 1 17 20 3  o 3.080742       0.5277959     3.193329       0.7774437     2.984492       0.7188295 
1 1 1 17 20 4  o 2.761783       0.5337746     3.063614       0.7998751     2.519462       0.7166981 
1 1 1 17 20 5  o 1.515997       0.5294533     1.637958       0.8160513     1.427338       0.6957704 
1 1 1 17 20 6  o 0.7396984      0.5241339     -0.3144424     0.7711883     1.644624       0.7145251 
1 1 1 17 20 7  o 2.513258       0.5553014     1.782451       0.8958860     2.969202       0.7076317 
1 1 1 17 20 8  o 0.8335199      0.5540454     0.8654603      0.8595284     0.8108147      0.7246909 
1 1 1 17 20 9  o 1.517376       0.5548116     1.482999       0.8606562     1.541819       0.7257296 
1 1 1 17 20 10 o 3.138888       0.5597144     2.362000       0.8834572     3.659811       0.7234242 
1 1 1 17 20 11 o 2.614690       0.5661235     2.786467       0.8808582     2.493804       0.7389471 
1 1 1 17 20 12 o 1.321524       0.5637751     0.9952122      0.8867216     1.542934       0.7304147 
1 1 1 17 20 13 o 0.8527632      0.5634474     1.610110       0.9260687     0.4076166      0.7099820 
1 1 1 17 20 14 o 0.6964975      0.5516198     0.8918321      0.8781592     0.5691900      0.7089421 
1 1 1 17 20 15 o 0.9594201      0.4919058     0.5265323      0.8624566     1.168137       0.5988636 
1 1 1 17 21 0  o 3.566200       0.7724016     3.566200       0.5461704     ?              ?         
1 1 1 17 21 1  o 2.865515       0.5167200     3.888610       0.7395462     1.889676       0.7222651 
1 1 1 17 21 2  o 3.448274       0.5543829     2.336876       0.8024836     4.462942       0.7667670 
1 1 1 17 21 3  o 1.549873       0.5570240     1.162557       0.8297007     1.867688       0.7515818 
1 1 1 17 21 4  o -0.2683909     0.5361906     -0.1424934     0.8215633     -0.3618070     0.7076907 
1 1 1 17 21 5  o 1.652213       0.5541103     1.889905       0.8256033     1.457381       0.7474703 
1 1 1 17 21 6  o 2.784275       0.5563338     3.283886       0.8495965     2.409232       0.7361018 
1 1 1 17 21 7  f 0.4883025      0.5487590     0.1919915      0.8323708     0.7161018      0.7298257 
1 1 1 17 21 8  f 2.746368       0.5803589     1.886476       0.8989542     3.360892       0.7599491 
1 1 1 17 21 9  o 6.443348       0.5937567     6.745439       0.9260168     6.232438       0.7737468 
1 1 1 17 21 10 o 4.345278       0.5928273     2.813163       0.9406332     5.354852       0.7635610 
1 1 1 17 21 11 o 0.6578604      0.5790421     1.189453       0.9216172     0.3111542      0.7442893 
1 1 1 17 21 12 o 0.4733509      0.5624334     -0.2092210     0.8890318     0.9288315      0.7262364 
1 1 1 17 21 13 o -0.4452089     0.5556829     -0.7867126     0.8582737     -0.1987426     0.7291334 
1 1 1 17 22 0  o 2.594677       0.7613466     2.594677       0.5383533     ?              ?         
1 1 1 17 22 1  o 2.959024       0.5857061     2.457511       0.8622845     3.388618       0.7980652 
1 1 1 17 22 2  o 2.671496       0.5832777     2.129116       0.8480477     3.158405       0.8035114 
1 1 1 17 22 3  o 3.364842       0.5783092     3.753271       0.8674025     3.054020       0.7759270 
1 1 1 17 22 4  o 1.556587       0.5532162     1.969165       0.8367577     1.236202       0.7373658 
1 1 1 17 22 5  f 2.223373       0.5809461     0.9037120      0.8853141     3.221359       0.7698891 
1 1 1 17 22 6  o 2.478168       0.5805173     3.107492       0.8833651     1.999786       0.7701762 
1 1 1 17 22 7  o 3.634502       0.5800423     5.568716       0.8758036     2.123145       0.7741729 
1 1 1 17 22 8  o 2.321634       0.5630121     1.968955       0.8431075     2.605484       0.7563741 
1 1 1 17 22 9  o 0.2032135      0.5863875     0.1003401      0.9478784     0.2669921      0.7463427 
1 1 1 17 22 10 o 0.7287579      0.5931270     0.7195758      0.9301431     0.7350501      0.7699875 
1 1 1 17 22 11 o -0.2504129     0.5882412     0.5279046      0.8985024     -0.8342666     0.7782030 
1 1 1 17 23 0  o 2.116055       0.8788210     2.116055       0.6214203     ?              ?         
1 1 1 17 23 1  f 1.967742       0.5910383     1.627643       0.8542027     2.280112       0.8186399 
1 1 1 17 23 2  o 3.148607       0.5903184     3.046864       0.8693518     3.235656       0.8041302 
1 1 1 17 23 3  o 3.597295       0.5957913     3.837068       0.8760465     3.390960       0.8126706 
1 1 1 17 23 4  o 3.350716       0.5877458     4.184332       0.9065053     2.746130       0.7719986 
1 1 1 17 23 5  o 0.5387825      0.5864825     0.9423846      0.8699462     0.2025213      0.7940615 
1 1 1 17 23 6  o 0.1973867      0.5762377     0.5767330      0.8680150     -0.1015262     0.7705159 
1 1 1 17 23 7  o 0.8348807      0.5924236     0.7207408      0.8950973     0.9238551      0.7902850 
1 1 1 18 0  0  o 98.29767       2.440151      98.29767       1.725447      ?              ?         
1 1 1 18 0  1  o 46.33679       1.059556      46.33679       0.7492190     ?              ?         
1 1 1 18 0  2  o 16.51743       0.7405883     16.51743       0.5236750     ?              ?         
1 1 1 18 0  3  o 4.475511       0.6610926     4.475511       0.4674631     ?              ?         
1 1 1 18 0  4  o 3.501108       0.6513635     3.501108       0.4605835     ?              ?         
1 1 1 18 0  5  o 9.817850       0.6683407     9.817850       0.4725882     ?              ?         
1 1 1 18 0  6  o 9.329230       0.6102460     9.329230       0.4315091     ?              ?         
1 1 1 18 0  7  o 1.216493       0.5284792     1.216493       0.3736912     ?              ?         
1 1 1 18 0  8  o 20.49253       0.6646086     20.49253       0.4699492     ?              ?         
1 1 1 18 0  9  o 10.33569       0.5548275     10.33569       0.3923223     ?              ?         
1 1 1 18 0  10 o 4.771403       0.4793778     4.771403       0.3389713     ?              ?         
1 1 1 18 0  11 o -0.2820451     0.4397139     -0.2820451     0.3109247     ?              ?         
1 1 1 18 0  12 f 0.7509573      0.4229062     0.7509573      0.2990398     ?              ?         
1 1 1 18 0  13 o 4.440465       0.4253509     4.440465       0.3007685     ?              ?         
1 1 1 18 0  14 o 6.747371       0.4929332     6.747371       0.3485564     ?              ?         
1 1 1 18 0  15 o 10.99394       0.5202141     10.99394       0.3678469     ?              ?         
1 1 1 18 0  16 o 2.783613       0.4338197     2.783613       0.3067569     ?              ?         
1 1 1 18 0  17 o 0.7280263E-01  0.3925251     0.7280263E-01  0.2775572     ?              ?         
1 1 1 18 0  18 o 1.117868       0.3894491     1.117868       0.2753821     ?              ?         
1 1 1 18 0  19 o 0.8402224      0.3515263     0.8402224      0.2485667     ?              ?         
1 1 1 18 0  20 o -0.2120697E-01 0.3171570     -0.2120697E-01 0.2242638     ?              ?         
1 1 1 18 0  21 o 0.5703921      0.2961069     0.5703921      0.2093792     ?              ?         
1 1 1 18 0  22 f 0.8402881      0.3197125     0.8402881      0.2260709     ?              ?         
1 1 1 18 0  23 o -2.446846      1.301780      -2.446846      0.9204973     ?              ?         
1 1 1 18 0  24 o 3.491141       1.346786      3.491141       0.9523213     ?              ?         
1 1 1 18 0  25 o 1.503556       1.365640      1.503556       0.9656534     ?              ?         
1 1 1 18 0  26 o 0.4069782      1.360545      0.4069782      0.9620509     ?              ?         
1 1 1 18 0  27 o 0.8583896      1.390231      0.8583896      0.9830419     ?              ?         
1 1 1 18 1  0  o 4.514284       0.6529038     4.514284       0.4616727     ?              ?         
1 1 1 18 1  1  f 8.610334       0.4877026     9.206574       0.6900060     8.015097       0.6894258 
1 1 1 18 1  2  o 7.202057       0.4779511     8.383926       0.6865595     6.090680       0.6657698 
1 1 1 18 1  3  o 11.60352       0.4918486     11.94827       0.6991553     11.26573       0.6920569 
1 1 1 18 1  4  o 1.258224       0.4206415     1.262533       0.5707988     1.253102       0.6222841 
1 1 1 18 1  5  o 2.970327       0.4233306     2.472957       0.5809096     3.533579       0.6181875 
1 1 1 18 1  6  o 2.306768       0.4105464     2.764237       0.5715466     1.819118       0.5900983 
1 1 1 18 1  7  o 5.481557       0.3986161     5.108418       0.5730317     5.831410       0.5548637 
1 1 1 18 1  8  o 3.061303       0.3700306     2.509009       0.5248252     3.607233       0.5217928 
1 1 1 18 1  9  o 2.736197       0.3601992     3.050897       0.5174316     2.440308       0.5017287 
1 1 1 18 1  10 o 2.771409       0.3329391     3.037066       0.4925614     2.547929       0.4517725 
1 1 1 18 1  11 o 1.980148       0.3146627     2.053874       0.4586852     1.914608       0.4324715 
1 1 1 18 1  12 o 2.323210       0.3060385     1.759781       0.4436005     2.834939       0.4227588 
1 1 1 18 1  13 o 5.687243       0.3056865     5.482924       0.4353263     5.885988       0.4293476 
1 1 1 18 1  14 o 5.056531       0.3337816     4.691021       0.4767453     5.407954       0.4674683 
1 1 1 18 1  15 o 6.688215       0.3291880     6.069419       0.4594451     7.340983       0.4718886 
1 1 1 18 1  16 f 8.751221       0.3302534     8.621489       0.4630992     8.885474       0.4711013 
1 1 1 18 1  17 o 6.864706       0.2990917     6.247293       0.4181832     7.511278       0.4279447 
1 1 1 18 1  18 o 1.998131       0.2488625     2.106126       0.3221627     1.838336       0.3918811 
1 1 1 18 1  19 o 0.7896610      0.3834802     1.147388       0.6342407     0.5835269      0.4814521 
1 1 1 18 1  20 o -0.1788644     0.3662935     0.3504688      0.6232201     -0.4582196     0.4527467 
1 1 1 18 1  21 o 0.4100835      0.3657919     0.4845288      0.6289120     0.3720245      0.4496765 
1 1 1 18 1  22 o 0.4674005      0.3538046     0.5323052      0.6279959     0.4372200      0.4282346 
1 1 1 18 1  23 o 0.6508573      0.3551862     -0.1324685     0.6340458     1.009095       0.4287803 
1 1 1 18 1  24 o 0.9254315      0.3527271     1.250297       0.6417147     0.7847872      0.4222324 
1 1 1 18 1  25 o 0.1987531      0.3465895     -0.4316623     0.6159906     0.4907790      0.4192484 
1 1 1 18 1  26 o 0.1712473      0.3180445     0.1294400      0.6310058     0.1854852      0.3682403 
1 1 1 18 1  27 o 0.4076301      0.3190026     0.7560021E-01  0.6491151     0.5133545      0.3662864 
1 1 1 18 2  0  o 28.02160       0.8444917     28.02160       0.5971458     ?              ?         
1 1 1 18 2  1  f 15.25074       0.5226881     15.07410       0.7383955     15.42815       0.7399922 
1 1 1 18 2  2  o 5.422302       0.4734226     6.235482       0.6750507     4.635233       0.6641244 
1 1 1 18 2  3  o 7.051168       0.4505845     6.936704       0.6125113     7.186169       0.6651887 
1 1 1 18 2  4  o 1.593747       0.4267241     1.868537       0.5875270     1.286946       0.6208052 
1 1 1 18 2  5  o 15.76832       0.4899547     15.12074       0.6661282     16.53158       0.7231842 
1 1 1 18 2  6  o 19.19248       0.5060681     18.85522       0.6938968     19.57570       0.7396711 
1 1 1 18 2  7  o 14.11690       0.4586873     14.10638       0.6310273     14.12869       0.6679060 
1 1 1 18 2  8  f 3.654425       0.3906464     3.281995       0.5423680     4.055917       0.5631316 
1 1 1 18 2  9  o 4.563986       0.3603077     4.691521       0.5309345     4.455109       0.4905610 
1 1 1 18 2  10 o 0.1961687      0.3270915     -0.1596117     0.4835573     0.4962705      0.4441107 
1 1 1 18 2  11 o 1.557928       0.3133851     1.640554       0.4738938     1.493711       0.4177783 
1 1 1 18 2  12 o 7.805284       0.3355548     8.400594       0.5001178     7.317866       0.4525345 
1 1 1 18 2  13 o 4.277188       0.3112904     5.053163       0.5107638     3.818631       0.3926388 
1 1 1 18 2  14 o 3.564563       0.3218271     3.184937       0.4713496     3.896095       0.4404814 
1 1 1 18 2  15 o 1.877326       0.2914391     1.682791       0.4179552     2.061429       0.4065938 
1 1 1 18 2  16 o 0.1607923      0.2718634     0.2700326      0.3458254     -0.1593621E-01 0.4398642 
1 1 1 18 2  17 o 1.146044       0.4262280     0.6869248      0.6718081     1.455357       0.5514198 
1 1 1 18 2  18 o 2.175860       0.4245474     2.383727       0.6814271     2.043984       0.5427604 
1 1 1 18 2  19 o 2.606118       0.4319800     2.182207       0.6969340     2.870585       0.5504776 
1 1 1 18 2  20 o 0.6835666      0.4212472     0.2197771      0.6951911     0.9526573      0.5295331 
1 1 1 18 2  21 o 0.2107563      0.4014332     -0.7073944     0.6880512     0.6845790      0.4942786 
1 1 1 18 2  22 o -0.4905347E-02 0.3697718     -0.6387913     0.7053298     0.2353437      0.4342277 
1 1 1 18 2  23 o 0.4840216      0.3689050     0.7445572      0.7156740     0.3897471      0.4305058 
1 1 1 18 2  24 f 0.5955172      0.3816348     1.478754       0.7500673     0.2869973      0.4433056 
1 1 1 18 2  25 f 0.1081432      0.3798306     -0.8421296     0.7347047     0.4547683      0.4437299 
1 1 1 18 2  26 o 1.109904       0.3952206     0.8467885      0.7586035     1.207925       0.4630227 
1 1 1 18 2  27 o 0.1706864      0.3962634     0.2164646      0.7582499     0.1534862      0.4647835 
1 1 1 18 3  0  o 0.9738236      0.6672796     0.9738236      0.4718379     ?              ?         
1 1 1 18 3  1  o 22.11536       0.5540351     22.42591       0.7552056     21.75344       0.8152874 
1 1 1 18 3  2  o 6.663129       0.4655919     7.136823       0.6374998     6.121625       0.6816033 
1 1 1 18 3  3  o 2.525289       0.4779285     2.423415       0.6785821     2.625565       0.6732355 
1 1 1 18 3  4  o 12.80442       0.4865568     13.14815       0.6741648     12.43074       0.7029263 
1 1 1 18 3  5  o 27.95472       0.5820962     27.16348       0.8031820     28.83011       0.8448113 
1 1 1 18 3  6  o 17.17205       0.5009743     17.89022       0.6918455     16.38039       0.7263851 
1 1 1 18 3  7  o 9.033243       0.4413629     9.400072       0.6080884     8.624839       0.6416237 
1 1 1 18 3  8  f 12.37197       0.4418228     12.83790       0.6203134     11.89221       0.6294504 
1 1 1 18 3  9  o 29.47599       0.5564873     30.13178       0.7843181     28.81118       0.7896932 
1 1 1 18 3  10 o 25.92061       0.4998297     25.34543       0.7461286     26.38887       0.6732134 
1 1 1 18 3  11 o 12.27948       0.3764485     12.60125       0.5590343     12.01251       0.5092050 
1 1 1 18 3  12 o 4.810265       0.3185592     5.224357       0.4906972     4.508607       0.4188150 
1 1 1 18 3  13 o 7.206157       0.3258312     7.385051       0.5259905     7.094765       0.4150576 
1 1 1 18 3  14 f 4.846154       0.2837605     4.734860       0.4518448     4.918632       0.3646323 
1 1 1 18 3  15 f 1.883537       0.2935878     1.976865       0.3671241     1.717970       0.4889831 
1 1 1 18 3  16 o -0.1037709     0.4596945     -0.2366051     0.6897943     0.2356506E-02  0.6165643 
1 1 1 18 3  17 o 1.588813       0.4693192     1.513279       0.7298183     1.642074       0.6128376 
1 1 1 18 3  18 o 1.506681       0.4619038     2.980417       0.7416014     0.5725970      0.5904100 
1 1 1 18 3  19 f 0.5834886      0.4396982     0.8181873      0.7401024     0.4554605      0.5466247 
1 1 1 18 3  20 o 3.175473       0.4214386     3.078957       0.7538973     3.219343       0.5082726 
1 1 1 18 3  21 o 0.7924458      0.4203742     1.099193       0.7592652     0.6568506      0.5048065 
1 1 1 18 3  22 f 1.639092       0.4238760     1.406151       0.7692135     1.740672       0.5079575 
1 1 1 18 3  23 o 1.329816       0.4227270     1.236944       0.7784871     1.368652       0.5034109 
1 1 1 18 3  24 o 0.6041427      0.4284158     -0.5092711     0.7932703     1.062610       0.5090343 
1 1 1 18 3  25 o 0.1994026      0.4286727     0.2781336      0.8250334     0.1702879      0.5017116 
1 1 1 18 3  26 o 0.9262768      0.4370546     0.9277349      0.8471220     0.9257479      0.5102015 
1 1 1 18 3  27 o 0.3006031      0.4459761     0.1946782      0.8529879     0.3404521      0.5231815 
1 1 1 18 4  0  o 5.314899       0.6520635     5.314899       0.4610786     ?              ?         
1 1 1 18 4  1  o 17.33055       0.5116325     17.86008       0.7390050     16.84310       0.7090401 
1 1 1 18 4  2  o 45.97540       0.7386834     45.25919       1.011321      46.79448       1.081520  
1 1 1 18 4  3  o 15.20595       0.5146407     14.93336       0.7126195     15.50308       0.7440192 
1 1 1 18 4  4  o 1.204485       0.4376048     1.026465       0.5885450     1.424582       0.6544158 
1 1 1 18 4  5  o 9.098880       0.4625648     9.396942       0.6388881     8.770500       0.6705938 
1 1 1 18 4  6  o 14.55460       0.4874760     14.74033       0.6826696     14.36137       0.6963235 
1 1 1 18 4  7  o 22.03870       0.5237297     22.31416       0.7287682     21.74449       0.7531654 
1 1 1 18 4  8  o 12.44417       0.4425021     12.15880       0.6166989     12.74702       0.6353008 
1 1 1 18 4  9  f 2.285160       0.3702631     2.457357       0.5242113     2.113722       0.5230529 
1 1 1 18 4  10 o 1.510573       0.3578656     2.110952       0.5229942     0.9819623      0.4907410 
1 1 1 18 4  11 o 6.881930       0.3434157     7.518774       0.5159290     6.375310       0.4601665 
1 1 1 18 4  12 o 9.337826       0.3426967     9.217909       0.5137826     9.433936       0.4599639 
1 1 1 18 4  13 o 10.42660       0.3484808     11.66432       0.5647323     9.665489       0.4428492 
1 1 1 18 4  14 f 8.181589       0.3014897     8.131340       0.4829041     8.213686       0.3859493 
1 1 1 18 4  15 o 2.764309       0.3595172     2.499346       0.7631644     2.839882       0.4075759 
1 1 1 18 4  16 o 2.866133       0.4824608     3.378588       0.7370694     2.481972       0.6381718 
1 1 1 18 4  17 f 2.826155       0.4423512     2.529418       0.7487975     2.985224       0.5482409 
1 1 1 18 4  18 o 3.481127       0.4431665     3.376530       0.7555314     3.535991       0.5471841 
1 1 1 18 4  19 o 3.135306       0.4447057     3.752440       0.7782719     2.836132       0.5418808 
1 1 1 18 4  20 o 3.418469       0.4590150     4.980999       0.8380244     2.748771       0.5486331 
1 1 1 18 4  21 o -0.1763068     0.4417244     -0.8443976E-02 0.7871475     -0.2534681     0.5336771 
1 1 1 18 4  22 o 0.3707249      0.4467130     0.8590894      0.8050412     0.1534542      0.5369659 
1 1 1 18 4  23 o 2.537735       0.4659564     1.860042       0.8577292     2.821465       0.5549910 
1 1 1 18 4  24 o 1.940810       0.4695842     1.631486       0.8541948     2.074779       0.5621498 
1 1 1 18 4  25 o 2.015119       0.4874968     1.552041       0.8856885     2.216388       0.5839049 
1 1 1 18 4  26 o -0.4920031     0.4753580     -0.8863728     0.8624477     -0.3199190     0.5697066 
1 1 1 18 4  27 o 0.3821070      0.4784865     0.5501685      0.8605253     0.3068900      0.5756884 
1 1 1 18 5  0  o 10.00029       0.6740695     10.00029       0.4766391     ?              ?         
1 1 1 18 5  1  o 4.318355       0.4546817     4.240960       0.6544801     4.390555       0.6321360 
1 1 1 18 5  2  o 6.979712       0.4685128     7.072610       0.6661239     6.888766       0.6590865 
1 1 1 18 5  3  o 27.57170       0.5890332     26.80939       0.8039809     28.45502       0.8654487 
1 1 1 18 5  4  o 30.97927       0.6075024     30.23538       0.8287488     31.84323       0.8931359 
1 1 1 18 5  5  o 6.078859       0.4489823     5.577774       0.6221499     6.623438       0.6485888 
1 1 1 18 5  6  o 12.46400       0.4686828     11.96978       0.6434205     13.02265       0.6840819 
1 1 1 18 5  7  o 13.64640       0.4669059     13.95427       0.6437488     13.30468       0.6782072 
1 1 1 18 5  8  o 4.520998       0.4019713     4.818597       0.5664545     4.219119       0.5705138 
1 1 1 18 5  9  o 9.155507       0.4122605     9.671171       0.5816765     8.635036       0.5843816 
1 1 1 18 5  10 o 12.75986       0.4190179     13.47671       0.6026075     12.08882       0.5830384 
1 1 1 18 5  11 o 18.55318       0.4518633     18.25194       0.6285086     18.87548       0.6501006 
1 1 1 18 5  12 o 4.870930       0.3309906     5.409960       0.5536481     4.571124       0.4129027 
1 1 1 18 5  13 o 0.1789544      0.2797586     -0.1048098     0.4815355     0.3235320      0.3437161 
1 1 1 18 5  14 o 4.043181       0.2568018     3.927343       0.4284182     4.108144       0.3208275 
1 1 1 18 5  15 o 7.792145       0.4936915     8.116980       0.8038146     7.595388       0.6255900 
1 1 1 18 5  16 o 4.353639       0.4727596     5.086909       0.7941431     3.951127       0.5883771 
1 1 1 18 5  17 o 4.984063       0.4916158     5.166952       0.7959154     4.871244       0.6251197 
1 1 1 18 5  18 o 5.145291       0.4932210     5.246255       0.8308352     5.090347       0.6129046 
1 1 1 18 5  19 o 6.127170       0.5106348     7.727453       0.8859994     5.331228       0.6248502 
1 1 1 18 5  20 o 1.860912       0.4703610     1.103741       0.8280602     2.221593       0.5715135 
1 1 1 18 5  21 o 0.5118409      0.4652307     1.003006       0.8308571     0.2875083      0.5615116 
1 1 1 18 5  22 o 0.9943671      0.4816047     1.759623       0.8412241     0.6212533      0.5873934 
1 1 1 18 5  23 o -0.1009215     0.4796160     -0.9984006     0.8521070     0.3152593      0.5802604 
1 1 1 18 5  24 o 0.2518803      0.4948020     0.7693035      0.8725652     0.6633172E-02  0.6007266 
1 1 1 18 5  25 o 0.5891901      0.5097917     -0.5833480     0.9095965     1.126177       0.6155552 
1 1 1 18 5  26 o 0.4576587      0.5127473     -1.705332      0.9228226     1.423651       0.6167052 
1 1 1 18 5  27 o 0.1993978      0.5167809     0.9767359E-02  0.9310246     0.2838390      0.6212760 
1 1 1 18 6  0  o 21.54476       0.7822523     21.54476       0.5531359     ?              ?         
1 1 1 18 6  1  o 27.46251       0.5874124     27.25695       0.8245228     27.67436       0.8370726 
1 1 1 18 6  2  o 30.03860       0.5945089     29.14552       0.8372753     30.94671       0.8442937 
1 1 1 18 6  3  o 8.654412       0.4707707     7.592904       0.6673102     9.706178       0.6642409 
1 1 1 18 6  4  o 5.041664       0.4485782     4.671175       0.6323918     5.416863       0.6363978 
1 1 1 18 6  5  o 3.449431       0.4453856     2.879154       0.6082054     4.108878       0.6540287 
1 1 1 18 6  6  o 14.06182       0.4917420     14.29930       0.6830982     13.80638       0.7084508 
1 1 1 18 6  7  o 27.09383       0.5616015     27.59206       0.7799790     26.55747       0.8092800 
1 1 1 18 6  8  o 33.99942       0.6029108     34.18209       0.8388199     33.80420       0.8671764 
1 1 1 18 6  9  o 29.82018       0.5668111     31.15651       0.7972501     28.45434       0.8060057 
1 1 1 18 6  10 o 18.07150       0.4674223     17.68032       0.6572445     18.47184       0.6648917 
1 1 1 18 6  11 o 0.3691705      0.3519406     -0.3474803     0.5056517     1.042550       0.4901485 
1 1 1 18 6  12 o 5.018085       0.3617224     5.535840       0.5594597     4.646171       0.4741625 
1 1 1 18 6  13 o 11.47505       0.3441678     11.50487       0.5728505     11.45820       0.4305323 
1 1 1 18 6  14 o 3.802684       0.2484412     4.098653       0.4346762     3.659090       0.3027689 
1 1 1 18 6  15 o 0.2966235      0.4813609     0.5637874      0.7932152     0.1408828      0.6056239 
1 1 1 18 6  16 f 0.7342140      0.4658149     1.079195       0.7899551     0.5503150      0.5767588 
1 1 1 18 6  17 f 0.9341708      0.4750569     0.6207342      0.7816990     1.117723       0.5981964 
1 1 1 18 6  18 o 3.778108       0.4971442     4.095010       0.8339061     3.603376       0.6192141 
1 1 1 18 6  19 o 5.439322       0.5158338     5.955608       0.8794723     5.168571       0.6368869 
1 1 1 18 6  20 f 3.418169       0.5185922     3.417410       0.8917093     3.418558       0.6374862 
1 1 1 18 6  21 o 1.416057       0.5094091     0.1685673      0.8792744     2.046323       0.6249823 
1 1 1 18 6  22 o 0.3621428      0.4930442     0.7973123      0.8685949     0.1552719      0.5988772 
1 1 1 18 6  23 o 0.6273444      0.5459800     0.1064920E-01  1.064126      0.8476965      0.6360869 
1 1 1 18 6  24 o 0.6319726      0.5210453     0.2216485      0.8926220     0.8440442      0.6417195 
1 1 1 18 6  25 o 1.243398       0.5370905     0.6069881      0.9208068     1.571565       0.6612222 
1 1 1 18 6  26 o 1.154627       0.5342731     1.278097       0.9236045     1.092534       0.6549816 
1 1 1 18 7  0  o 6.641693       0.6691740     6.641693       0.4731774     ?              ?         
1 1 1 18 7  1  o 4.647909       0.4668621     5.439885       0.6672015     3.888133       0.6534972 
1 1 1 18 7  2  o 4.777611       0.4660218     4.912584       0.6630694     4.645858       0.6551114 
1 1 1 18 7  3  o 2.329626       0.4442319     2.858449       0.6298554     1.806198       0.6266345 
1 1 1 18 7  4  o 0.7074428      0.4459000     0.5348026      0.6409618     0.8693516      0.6207210 
1 1 1 18 7  5  f 3.041482       0.4342934     3.116674       0.6139176     2.966159       0.6144502 
1 1 1 18 7  6  o 4.654974       0.4529918     4.860967       0.6150280     4.410721       0.6697142 
1 1 1 18 7  7  o 24.88234       0.5564888     24.48832       0.7734527     25.30522       0.8012725 
1 1 1 18 7  8  o 53.39407       0.7775500     53.70200       1.085275      53.06932       1.114552  
1 1 1 18 7  9  o 56.90503       0.8228561     58.57086       1.179573      55.32597       1.148440  
1 1 1 18 7  10 o 27.86534       0.5451738     28.79519       0.7658958     26.91033       0.7761914 
1 1 1 18 7  11 o 18.12380       0.4594627     18.21846       0.7133916     18.05670       0.6006205 
1 1 1 18 7  12 o 7.710584       0.3754477     7.628262       0.6017248     7.763065       0.4804426 
1 1 1 18 7  13 o 6.732650       0.3431872     7.325498       0.5394117     6.329480       0.4448292 
1 1 1 18 7  14 o 13.19021       0.3390884     13.47458       0.5614444     13.02691       0.4254471 
1 1 1 18 7  15 o 11.43810       0.5536475     11.59034       0.9166895     11.35068       0.6946543 
1 1 1 18 7  16 o 5.544548       0.5213630     5.680905       0.8327412     5.456643       0.6686212 
1 1 1 18 7  17 o 3.189073       0.4984499     3.563847       0.8425182     2.987260       0.6182573 
1 1 1 18 7  18 o 4.374176       0.5201514     4.741523       0.8777387     4.175346       0.6457545 
1 1 1 18 7  19 o 3.006226       1.041530      2.350171       1.621703      3.466819       1.358814  
1 1 1 18 7  20 o 1.330749       0.5193235     2.526489       0.8872772     0.7076617      0.6404944 
1 1 1 18 7  21 o 1.502973       0.5222037     1.205001       0.8960794     1.656211       0.6426010 
1 1 1 18 7  22 o 2.885619       0.5388310     2.963317       0.9159252     2.844497       0.6663349 
1 1 1 18 7  23 o 3.276139       0.5475705     3.894134       0.9512193     2.969858       0.6696509 
1 1 1 18 7  24 o 1.547433       0.5605015     1.420925       0.9731435     1.610236       0.6856533 
1 1 1 18 7  25 o 0.4016056      0.5523582     0.6317614      0.9274743     0.2751071      0.6875963 
1 1 1 18 7  26 o 1.015143       0.5756424     0.5428392      0.9952668     1.252562       0.7056451 
1 1 1 18 8  0  o 0.2882676      0.6252102     0.2882676      0.4420904     ?              ?         
1 1 1 18 8  1  o 8.004292       0.4735009     7.907239       0.6672199     8.102761       0.6720691 
1 1 1 18 8  2  f 10.50385       0.4904963     10.85256       0.6949189     10.15765       0.6924208 
1 1 1 18 8  3  o 8.958887       0.4755304     9.031885       0.6852275     8.891070       0.6604594 
1 1 1 18 8  4  o 4.713006       0.4495649     5.168647       0.6338923     4.251895       0.6376864 
1 1 1 18 8  5  o 4.913035       0.4489751     5.028440       0.6310701     4.794751       0.6388956 
1 1 1 18 8  6  o 26.54352       0.5562135     27.07963       0.7860612     26.00591       0.7871494 
1 1 1 18 8  7  o 35.92884       0.6205251     36.23361       0.8866380     35.63626       0.8687454 
1 1 1 18 8  8  f 27.91027       0.5564322     29.41763       0.8024701     26.51439       0.7722290 
1 1 1 18 8  9  o 10.50970       0.4132171     10.88513       0.6291277     10.22486       0.5479922 
1 1 1 18 8  10 o 11.26501       0.4211056     11.94078       0.6335894     10.73029       0.5636021 
1 1 1 18 8  11 o 8.784669       0.4089417     9.795288       0.6475602     8.114265       0.5274172 
1 1 1 18 8  12 o 12.49524       0.4225237     12.27102       0.6563235     12.65393       0.5521625 
1 1 1 18 8  13 o 4.359602       0.3438187     5.072611       0.5581561     3.923628       0.4364545 
1 1 1 18 8  14 o 0.7278346      0.2888670     0.1836589      0.4760908     1.044891       0.3634028 
1 1 1 18 8  15 f 1.175124       0.2527470     1.320022       0.3372102     0.9893663      0.3818060 
1 1 1 18 8  16 o 3.521405       0.5243590     3.761478       0.8573709     3.377949       0.6627597 
1 1 1 18 8  17 o 1.314613       0.5138968     1.678457       0.8479723     1.103415       0.6460522 
1 1 1 18 8  18 o 0.3063043      0.5350887     -0.8445158     0.8926330     0.9517883      0.6685163 
1 1 1 18 8  19 o 0.7701091      0.5320835     1.688395       0.8978606     0.2730568      0.6605732 
1 1 1 18 8  20 o 3.168851       0.5402352     2.898310       0.9115275     3.315334       0.6707286 
1 1 1 18 8  21 o 0.1584816      0.5427682     0.8991649      0.9064378     -0.2555413     0.6776944 
1 1 1 18 8  22 o 2.076253       0.5611506     3.191320       0.9466770     1.472229       0.6967521 
1 1 1 18 8  23 o 0.3081387      0.5470741     0.8147928      0.9698020     0.7165967E-01  0.6625576 
1 1 1 18 8  24 o 0.1080248      0.5799423     0.5144715E-01  0.9728456     0.1392149      0.7223203 
1 1 1 18 8  25 o -0.4593005     0.5777864     -1.342937      0.9787349     0.1337668E-01  0.7158312 
1 1 1 18 8  26 o -0.4398466     0.5894604     -0.5006363     0.9881579     -0.4062656     0.7344432 
1 1 1 18 9  0  f 12.19296       0.7037258     12.19296       0.4976093     ?              ?         
1 1 1 18 9  1  o 3.291167       0.4508092     3.372254       0.6351029     3.208824       0.6400063 
1 1 1 18 9  2  f 0.1583768E-01  0.4451478     -0.3036642     0.6301677     0.3340577      0.6289023 
1 1 1 18 9  3  f 1.654427       0.4505373     1.524541       0.6262590     1.793764       0.6486421 
1 1 1 18 9  4  o 2.968596       0.4362588     3.466053       0.6125342     2.456487       0.6214893 
1 1 1 18 9  5  o 14.73034       0.4945945     13.64361       0.7016476     15.80365       0.6972973 
1 1 1 18 9  6  o 24.48551       0.5529321     25.04056       0.7915482     23.95655       0.7727199 
1 1 1 18 9  7  f 21.22296       0.5257137     21.10528       0.7602435     21.33079       0.7277625 
1 1 1 18 9  8  o 15.96297       0.5168281     15.71581       0.7519205     16.18431       0.7115591 
1 1 1 18 9  9  o 13.12957       0.4383442     13.14608       0.6547809     13.11616       0.5900800 
1 1 1 18 9  10 o 12.42665       0.4452127     12.25389       0.7020277     12.54288       0.5758168 
1 1 1 18 9  11 o 7.960382       0.4081378     8.358058       0.6680707     7.723580       0.5155257 
1 1 1 18 9  12 o 8.538704       0.4076667     8.689228       0.6325492     8.431764       0.5331628 
1 1 1 18 9  13 o 3.943146       0.3616735     4.541464       0.5761079     3.553949       0.4646463 
1 1 1 18 9  14 o 0.2294357      0.3100287     0.3484433      0.5096318     0.1595196      0.3906230 
1 1 1 18 9  15 o 0.3035152E-01  0.2597989     -0.6166513E-01 0.4344395     0.8157711E-01  0.3241452 
1 1 1 18 9  16 o 0.8216596      0.5320417     2.121476       0.8829523     0.8065249E-01  0.6666645 
1 1 1 18 9  17 o -0.1695698     0.5257254     0.3126744      0.8523955     -0.4656354     0.6678851 
1 1 1 18 9  18 o 1.195221       0.5325261     1.061242       0.9096439     1.265080       0.6568490 
1 1 1 18 9  19 o 0.6459535      0.5540141     0.6182394      0.9311136     0.6611422      0.6893086 
1 1 1 18 9  20 o 1.600559       0.5612312     1.030045       0.9515977     1.904848       0.6949667 
1 1 1 18 9  21 o 0.5497395      0.5692484     1.205737       0.9490411     0.1810978      0.7114367 
1 1 1 18 9  22 f 1.287239       0.5840662     1.813069       0.9888095     1.005468       0.7238318 
1 1 1 18 9  23 o 1.713363       0.5839708     0.7363524      0.9848248     2.243184       0.7252268 
1 1 1 18 9  24 f 1.402317       0.6065967     1.161765       1.031341      1.529545       0.7500494 
1 1 1 18 9  25 o 0.2636485      0.6008741     -0.1068343     0.9914563     0.4787233      0.7554126 
1 1 1 18 10 0  o 2.288818       0.6431935     2.288818       0.4548065     ?              ?         
1 1 1 18 10 1  o 4.489241       0.4613832     4.897701       0.6583815     4.095070       0.6467624 
1 1 1 18 10 2  o 0.8889274      0.4499033     1.802155       0.6419390     0.7319710E-02  0.6307279 
1 1 1 18 10 3  o 7.028221       0.4722080     7.930301       0.6818376     6.196771       0.6546006 
1 1 1 18 10 4  o 27.30977       0.5847580     27.91331       0.8380936     26.73723       0.8162832 
1 1 1 18 10 5  o 19.23588       0.5242278     19.31497       0.7501469     19.16038       0.7328942 
1 1 1 18 10 6  o 11.53078       0.4565849     11.30554       0.6820052     11.71373       0.6146517 
1 1 1 18 10 7  o 10.86600       0.4520934     11.43648       0.6681569     10.38428       0.6139858 
1 1 1 18 10 8  o 17.46175       0.4773732     17.70742       0.7076201     17.25655       0.6467007 
1 1 1 18 10 9  o 14.11192       0.4496233     15.08952       0.6767167     13.33926       0.6016151 
1 1 1 18 10 10 o 10.45476       0.4352381     10.84540       0.7012579     10.21000       0.5550904 
1 1 1 18 10 11 f 8.206013       0.4167475     7.991461       0.6758925     8.337614       0.5293472 
1 1 1 18 10 12 o 9.577329       0.4236045     9.219392       0.6811634     9.803053       0.5409263 
1 1 1 18 10 13 o 11.27593       0.4142386     11.37711       0.6592454     11.20992       0.5324893 
1 1 1 18 10 14 o 18.97068       0.4574026     19.19005       0.7292235     18.82839       0.5873013 
1 1 1 18 10 15 o 15.25645       0.4239256     14.47540       0.6486139     15.83892       0.5601174 
1 1 1 18 10 16 o 9.255143       0.3258150     8.983182       0.5201896     9.430707       0.4179522 
1 1 1 18 10 17 o 2.164004       0.5536465     2.592940       0.9258919     1.925277       0.6907406 
1 1 1 18 10 18 o -0.3527392E-01 0.5465035     -0.6010767     0.9104620     0.2834024      0.6832888 
1 1 1 18 10 19 o 1.416051       0.5682845     2.165937       0.9454744     0.9919099      0.7110616 
1 1 1 18 10 20 o 0.9745623      0.5738918     2.072706       0.9915470     0.4213838      0.7037467 
1 1 1 18 10 21 o 0.7881487      0.5779123     2.025053       0.9916447     0.1519928      0.7111640 
1 1 1 18 10 22 o -0.7351103     0.5813892     0.1359335E-01  0.9853945     -1.134915      0.7200773 
1 1 1 18 10 23 o 0.6087887      0.5978972     -0.1946990     1.029805      1.017359       0.7343425 
1 1 1 18 10 24 o 1.937350       0.6183012     2.784570       1.035170      1.467456       0.7709277 
1 1 1 18 10 25 o 1.335321       0.6969393     1.861418       1.240196      1.092498       0.8425636 
1 1 1 18 11 0  o 4.031064       0.6499404     4.031064       0.4595773     ?              ?         
1 1 1 18 11 1  o 1.008480       0.4511175     1.105080       0.6363795     0.9109049      0.6395856 
1 1 1 18 11 2  o 2.480145       0.4496938     2.493017       0.6391561     2.467527       0.6328173 
1 1 1 18 11 3  o 4.314979       0.4514794     3.854623       0.6425560     4.763860       0.6344970 
1 1 1 18 11 4  o 20.24648       0.5325808     19.72385       0.7565596     20.75988       0.7498512 
1 1 1 18 11 5  o 39.68223       0.6509033     40.41988       0.9667452     39.07054       0.8803424 
1 1 1 18 11 6  o 33.47674       0.6061548     33.78881       0.8977039     33.21522       0.8217833 
1 1 1 18 11 7  o 11.19070       0.4558136     12.04007       0.6838874     10.51180       0.6114188 
1 1 1 18 11 8  o 4.965838       0.4258515     4.540356       0.6310469     5.321631       0.5770578 
1 1 1 18 11 9  o 6.998633       0.4496852     6.697256       0.7120453     7.198585       0.5799822 
1 1 1 18 11 10 o 9.250005       0.4511930     9.074918       0.7154695     9.365609       0.5813686 
1 1 1 18 11 11 o 4.476790       0.4211799     4.973685       0.6553749     4.127178       0.5497313 
1 1 1 18 11 12 o 2.083097       0.3943233     2.803474       0.6316510     1.623073       0.5047627 
1 1 1 18 11 13 o 5.630540       0.3980032     4.456816       0.6392081     6.373705       0.5086301 
1 1 1 18 11 14 o 3.261248       0.3704723     3.844030       0.6050133     2.911642       0.4685985 
1 1 1 18 11 15 o 1.736533       0.3486358     1.694551       0.5545031     1.763978       0.4483375 
1 1 1 18 11 16 f 1.461360       0.2838205     1.239575       0.5359956     1.547777       0.3345766 
1 1 1 18 11 17 o 1.970743       0.2575196     2.024849       0.4545176     1.945163       0.3125206 
1 1 1 18 11 18 o 1.621356       0.5711446     2.327147       0.9377027     1.205081       0.7201404 
1 1 1 18 11 19 o 5.737457       0.6164033     5.599604       1.003407      5.821011       0.7811825 
1 1 1 18 11 20 o 3.053611       0.6119996     2.498381       1.014153      3.371607       0.7674994 
1 1 1 18 11 21 o 1.392283       0.5988442     1.317342       1.021688      1.431503       0.7391172 
1 1 1 18 11 22 o 0.5861177      0.6134651     -0.3826472     1.055682      1.080050       0.7538031 
1 1 1 18 11 23 o 0.2664580      0.6259633     -0.4969918E-01 1.051180      0.4401660      0.7791762 
1 1 1 18 11 24 o 0.5128095      0.6336220     -0.5374573     1.077370      1.068171       0.7834350 
1 1 1 18 12 0  o 8.512774       0.6927005     8.512774       0.4898132     ?              ?         
1 1 1 18 12 1  o 14.32414       0.5129011     14.06641       0.7249478     14.58245       0.7257561 
1 1 1 18 12 2  o 18.84094       0.5348760     19.33567       0.7675906     18.37398       0.7457405 
1 1 1 18 12 3  o 20.01870       0.5167842     19.31261       0.7649205     20.61163       0.7009490 
1 1 1 18 12 4  o 12.40970       0.4712434     12.84763       0.7011893     12.04897       0.6363904 
1 1 1 18 12 5  o 1.626575       0.4268042     1.243579       0.6321735     1.947372       0.5785673 
1 1 1 18 12 6  f 0.3606302      0.4233192     0.1318500      0.6205516     0.5597566      0.5789396 
1 1 1 18 12 7  o 7.646178       0.4569201     7.879543       0.6733475     7.447009       0.6220608 
1 1 1 18 12 8  o 2.937930       0.4178299     2.824393       0.6209550     3.031870       0.5648265 
1 1 1 18 12 9  o 5.167134       0.4455087     5.967147       0.7071194     4.640554       0.5736890 
1 1 1 18 12 10 o 8.880260       0.4498780     9.130629       0.7064670     8.709478       0.5834773 
1 1 1 18 12 11 o 10.08054       0.4543748     10.04438       0.7192944     10.10456       0.5861261 
1 1 1 18 12 12 o 11.61859       0.4586693     11.40844       0.7159874     11.76485       0.5973302 
1 1 1 18 12 13 o 7.949417       0.4312633     7.425732       0.6879724     8.288412       0.5535184 
1 1 1 18 12 14 o 3.808139       0.4018013     4.451868       0.6424916     3.394668       0.5149183 
1 1 1 18 12 15 o 1.420041       0.3760015     1.522512       0.6128778     1.358194       0.4761359 
1 1 1 18 12 16 o 0.6725692      0.3162928     -0.6505549E-02 0.5899800     0.9464633      0.3746881 
1 1 1 18 12 17 o 0.3420057      0.2879514     0.1025533      0.5540379     0.4306250      0.3370496 
1 1 1 18 12 18 o 0.7632870E-01  0.2464076     -0.1726385     0.4957201     0.1580297      0.2839744 
1 1 1 18 12 19 o 2.609993       0.6038190     4.345195       1.078145      1.817001       0.7288480 
1 1 1 18 12 20 o 1.987877       0.5861180     2.283541       1.052674      1.855034       0.7056107 
1 1 1 18 12 21 o 1.222972       0.6073492     0.9876503E-01  1.049348      1.789287       0.7447763 
1 1 1 18 12 22 o 1.423013       0.6419696     0.3903995      1.080872      1.985811       0.7979617 
1 1 1 18 12 23 o 0.3185111      0.6327904     1.609570       1.060206      -0.3959178     0.7886729 
1 1 1 18 13 0  o 23.68481       0.8063232     23.68481       0.5701566     ?              ?         
1 1 1 18 13 1  o 21.33439       0.5596601     21.66583       0.7866455     20.99468       0.7964025 
1 1 1 18 13 2  o 8.405650       0.4684946     8.744738       0.6978777     8.127473       0.6320983 
1 1 1 18 13 3  o 13.30915       0.4895065     13.76501       0.7337567     12.94357       0.6571023 
1 1 1 18 13 4  o 18.16347       0.5126364     18.15747       0.7531431     18.16865       0.6997522 
1 1 1 18 13 5  o 14.39481       0.4895205     15.35462       0.7392122     13.64515       0.6532948 
1 1 1 18 13 6  o 7.550343       0.4514686     7.505604       0.6757295     7.586415       0.6067693 
1 1 1 18 13 7  o 1.534976       0.4324203     1.464114       0.6262392     1.599553       0.5978195 
1 1 1 18 13 8  o 0.8252540      0.4343382     1.163991       0.7121499     0.6246228      0.5480744 
1 1 1 18 13 9  o 4.193898       0.4450735     3.634969       0.6986002     4.575749       0.5774276 
1 1 1 18 13 10 o 7.796604       0.4671312     7.755589       0.7423524     7.823492       0.6010466 
1 1 1 18 13 11 o 4.083212       0.4399319     5.280886       0.6867052     3.249478       0.5729472 
1 1 1 18 13 12 o 0.7856565      0.4320516     1.101393       0.7281742     0.6141098      0.5367398 
1 1 1 18 13 13 o 0.6000759      0.4042809     0.3555978      0.6790559     0.7343109      0.5031742 
1 1 1 18 13 14 o 0.5283786      0.4073362     0.9585005      0.6630931     0.2676959      0.5162200 
1 1 1 18 13 15 o 1.043626       0.4073276     1.743429       0.6598136     0.6126990      0.5177683 
1 1 1 18 13 16 f 1.690579       0.3527356     1.755512       0.6530736     1.663833       0.4191297 
1 1 1 18 13 17 o 0.4203979      0.3271874     0.6201105      0.6122506     0.3405636      0.3870983 
1 1 1 18 13 18 f 0.7645321      0.3124937     0.8793129      0.5984449     0.7215022      0.3664165 
1 1 1 18 13 19 o 2.881049       0.2964164     2.864951       0.5698499     2.887020       0.3470652 
1 1 1 18 13 20 o 1.340024       0.3258258     3.081411       0.7091454     0.8740342      0.3668394 
1 1 1 18 13 21 o 2.996524       0.6231743     3.721844       1.095874      2.649886       0.7575886 
1 1 1 18 13 22 o 0.6249232      0.6233183     -0.3800288     1.080619      1.126005       0.7630528 
1 1 1 18 14 0  o 11.14600       0.7070374     11.14600       0.4999509     ?              ?         
1 1 1 18 14 1  o 21.20236       0.5421107     20.79177       0.7838866     21.57873       0.7505219 
1 1 1 18 14 2  o 20.53009       0.5376431     20.26700       0.7814661     20.76653       0.7408435 
1 1 1 18 14 3  o 23.72719       0.5557462     24.00171       0.8199057     23.49387       0.7558802 
1 1 1 18 14 4  o 7.983852       0.4656006     8.296402       0.6969187     7.731890       0.6257355 
1 1 1 18 14 5  o -0.7800866     0.4331714     -1.002604      0.6489253     -0.6012493     0.5817575 
1 1 1 18 14 6  o 1.888126       0.4464100     1.500986       0.6511233     2.231505       0.6132185 
1 1 1 18 14 7  o 2.065480       0.4262682     2.309362       0.6300137     1.859570       0.5788938 
1 1 1 18 14 8  o 1.969209       0.4416314     1.805358       0.7125711     2.071400       0.5627439 
1 1 1 18 14 9  o -0.3025055     0.4504370     0.2399843      0.7314883     -0.6338532     0.5716808 
1 1 1 18 14 10 o 1.576601       0.4430975     1.256658       0.7246600     1.767650       0.5599765 
1 1 1 18 14 11 o 4.415665       0.4449566     4.072583       0.7310285     4.617574       0.5608070 
1 1 1 18 14 12 o 6.918226       0.4516734     7.286586       0.7161734     6.674944       0.5820186 
1 1 1 18 14 13 o 2.750207       0.4212135     2.798570       0.6912937     2.721650       0.5312110 
1 1 1 18 14 14 o 6.525303       0.4514131     6.038828       0.7263834     6.831396       0.5761852 
1 1 1 18 14 15 o 10.37154       0.4802663     10.28657       0.7545202     10.42941       0.6227026 
1 1 1 18 14 16 o 5.783400       0.3893404     5.247957       0.6992644     6.023973       0.4687142 
1 1 1 18 14 17 o 2.861237       0.3716338     2.481443       0.6834869     3.020651       0.4428118 
1 1 1 18 14 18 o 0.3681129      0.3465457     0.6754720      0.6818665     0.2610746      0.4023888 
1 1 1 18 14 19 o 0.4634210      0.3311039     -0.3416312E-01 0.6559454     0.6335526      0.3835543 
1 1 1 18 14 20 o 0.6170359      0.3142639     0.6384982      0.6235635     0.6097285      0.3638514 
1 1 1 18 14 21 o 0.2964091      0.3095838     0.5851368      0.5511752     0.1633387      0.3741849 
1 1 1 18 14 22 o 0.1610800      0.4143721     1.371098       1.354519      0.3614740E-01  0.4352384 
1 1 1 18 15 0  o 9.264524       0.6597784     9.264524       0.4665338     ?              ?         
1 1 1 18 15 1  o 6.172195       0.4711529     6.453184       0.6942928     5.932342       0.6414604 
1 1 1 18 15 2  o 2.182724       0.4495246     1.743676       0.6712621     2.539715       0.6052915 
1 1 1 18 15 3  o 3.283514       0.4569966     3.004954       0.6789118     3.514303       0.6179612 
1 1 1 18 15 4  o 11.25776       0.4911290     12.25988       0.7292096     10.42578       0.6644248 
1 1 1 18 15 5  o 9.994540       0.4849887     10.37741       0.7131105     9.665042       0.6615438 
1 1 1 18 15 6  o 3.689960       0.4571494     3.276713       0.6858451     4.020347       0.6132439 
1 1 1 18 15 7  o 1.707537       0.4867134     2.154131       0.8334283     1.476402       0.5995771 
1 1 1 18 15 8  f 0.4509654      0.4617377     0.7247566      0.7302169     0.2685592      0.5960216 
1 1 1 18 15 9  o 4.919309       0.4743151     4.022089       0.7586258     5.495143       0.6077527 
1 1 1 18 15 10 o 4.892663       0.4763795     5.014640       0.7759364     4.818874       0.6035074 
1 1 1 18 15 11 o 1.794315       0.4467187     2.716999       0.7342199     1.251997       0.5628942 
1 1 1 18 15 12 f 2.227521       0.4583444     3.077299       0.7592860     1.740338       0.5749081 
1 1 1 18 15 13 o 7.178122       0.4682720     6.903022       0.7635061     7.343999       0.5928724 
1 1 1 18 15 14 o 7.118437       0.4805413     7.201826       0.7777786     7.066953       0.6111384 
1 1 1 18 15 15 o 3.805699       0.4589654     4.183741       0.7381817     3.567460       0.5860019 
1 1 1 18 15 16 o 2.023288       0.4007533     2.709007       0.7376407     1.736128       0.4773461 
1 1 1 18 15 17 o 1.196818       0.3835623     0.3972149      0.7088895     1.527815       0.4560927 
1 1 1 18 15 18 o 0.8388924      0.3878049     1.171214       0.7317850     0.7091166      0.4572994 
1 1 1 18 15 19 o 0.8045238E-01  0.3656212     -0.2709547     0.7192747     0.2028878      0.4245640 
1 1 1 18 15 20 o 0.2517548      0.3503576     0.2627171      0.6974299     0.2480545      0.4051963 
1 1 1 18 15 21 o -0.1847868     0.3819431     -0.7387378     0.6905204     0.5939991E-01  0.4584605 
1 1 1 18 16 0  f 7.341578       0.6753938     7.341578       0.4775755     ?              ?         
1 1 1 18 16 1  o 4.220201       0.4592225     4.551322       0.6574029     3.904652       0.6417571 
1 1 1 18 16 2  o 1.090923       0.4677292     1.533367       0.7022981     0.7382430      0.6270219 
1 1 1 18 16 3  o 0.6437385      0.4602967     0.4015823      0.6812448     0.8471565      0.6243817 
1 1 1 18 16 4  o 3.157041       0.4643452     2.726410       0.6881747     3.516975       0.6291538 
1 1 1 18 16 5  o 7.905886       0.4903462     8.059784       0.7305980     7.779739       0.6614547 
1 1 1 18 16 6  o 8.471119       0.5133355     7.822567       0.8020148     8.921200       0.6681212 
1 1 1 18 16 7  o 9.052478       0.5336209     7.520412       0.8147943     10.20313       0.7061254 
1 1 1 18 16 8  o 9.469666       0.5168073     7.944990       0.8113635     10.51057       0.6703984 
1 1 1 18 16 9  o 4.353922       0.4962132     4.372442       0.8001410     4.342349       0.6325397 
1 1 1 18 16 10 o 0.5947818      0.4681422     0.3642836      0.7591469     0.7362232      0.5946758 
1 1 1 18 16 11 o 1.342194       0.4801723     1.120825       0.7792976     1.477672       0.6096491 
1 1 1 18 16 12 o -0.2191507     0.4708115     -0.2270680     0.7808679     -0.2146287     0.5901435 
1 1 1 18 16 13 f 1.558340       0.4768633     1.478994       0.7731587     1.607056       0.6058167 
1 1 1 18 16 14 f 3.365592       0.4745887     4.049614       0.7659005     2.939254       0.6046642 
1 1 1 18 16 15 o 3.181935       0.4908166     2.410159       0.7713852     3.706939       0.6362190 
1 1 1 18 16 16 o 2.010289       0.4295888     1.518471       0.7821315     2.222759       0.5140740 
1 1 1 18 16 17 o 0.8600077      0.4170925     0.5183971      0.7880988     0.9929180      0.4915802 
1 1 1 18 16 18 o 0.8718849      0.4198396     3.396584       0.7873818     -0.1310719     0.4962742 
1 1 1 18 16 19 o 0.4245951      0.3978013     0.6626690      0.7647951     0.3362960      0.4657657 
1 1 1 18 17 0  o 0.9152748      0.6378223     0.9152748      0.4510084     ?              ?         
1 1 1 18 17 1  o 6.368022       0.4857854     5.912995       0.6900178     6.815186       0.6840299 
1 1 1 18 17 2  o 15.74232       0.5329445     15.83356       0.7534916     15.65098       0.7539032 
1 1 1 18 17 3  o 13.74469       0.5359344     12.83921       0.7790376     14.55826       0.7384421 
1 1 1 18 17 4  o 10.97324       0.5253791     11.36792       0.7710818     10.63124       0.7177752 
1 1 1 18 17 5  o 10.41017       0.5372196     10.36641       0.8278968     10.44200       0.7060537 
1 1 1 18 17 6  o 8.846328       0.5326251     9.421798       0.8257084     8.436248       0.6970271 
1 1 1 18 17 7  o 6.403982       0.5271157     6.422013       0.8272685     6.391659       0.6839279 
1 1 1 18 17 8  o 6.104015       0.5139462     6.182698       0.8118774     6.051400       0.6639071 
1 1 1 18 17 9  o 6.039493       0.5334819     5.607287       0.8269202     6.347632       0.6982183 
1 1 1 18 17 10 o 1.325457       0.5044963     1.129667       0.8107959     1.449147       0.6444440 
1 1 1 18 17 11 o 3.405621       0.5032079     3.486383       0.8036700     3.353541       0.6453760 
1 1 1 18 17 12 o 4.169099       0.4957375     4.635974       0.7947928     3.871806       0.6342287 
1 1 1 18 17 13 o 2.761871       0.4997846     3.894755       0.7977155     2.029842       0.6412383 
1 1 1 18 17 14 o 1.777285       0.5126439     1.483075       0.8135018     1.971078       0.6602341 
1 1 1 18 17 15 o 0.8260542      0.4985076     0.9044515      0.8080460     0.7778812      0.6334129 
1 1 1 18 17 16 o 0.2440287      0.4383288     0.5564170      0.8044299     0.1121099      0.5227503 
1 1 1 18 17 17 o 0.9022798      0.4378054     1.500303       0.8191832     0.6631721      0.5179869 
1 1 1 18 17 18 o 0.3940845      0.4341486     0.6615221      0.8059403     0.2847527      0.5153057 
1 1 1 18 18 0  o 28.61756       0.8858175     28.61756       0.6263675     ?              ?         
1 1 1 18 18 1  f 19.55410       0.5702444     19.26685       0.8087335     19.83812       0.8041804 
1 1 1 18 18 2  o 3.816865       0.4795131     3.997460       0.6849800     3.643313       0.6714891 
1 1 1 18 18 3  o 3.326977       0.4809520     3.197737       0.6776069     3.458189       0.6827602 
1 1 1 18 18 4  o 5.276937       0.5125920     5.485719       0.7602894     5.102946       0.6940584 
1 1 1 18 18 5  o 7.160237       0.5489014     5.824223       0.8785740     8.015596       0.7029864 
1 1 1 18 18 6  o 6.111875       0.5453808     5.862253       0.8454610     6.289771       0.7137332 
1 1 1 18 18 7  f 5.453518       0.5439823     3.924735       0.8494722     6.516255       0.7082541 
1 1 1 18 18 8  o 6.195441       0.5486560     6.581509       0.8706741     5.941168       0.7066004 
1 1 1 18 18 9  o 6.774366       0.5498195     7.401957       0.8788108     6.370708       0.7047959 
1 1 1 18 18 10 f 10.63746       0.5675132     11.26274       0.8945867     10.21634       0.7341540 
1 1 1 18 18 11 o 6.458086       0.5376813     6.290504       0.8718597     6.560940       0.6830359 
1 1 1 18 18 12 o 2.227887       0.5202595     3.386796       0.8521529     1.539225       0.6568949 
1 1 1 18 18 13 o 0.6140997      0.5272597     0.1266790E-02  0.8475813     1.000959       0.6734209 
1 1 1 18 18 14 o 0.4938332      0.5174404     0.3597826      0.8271556     0.5800189      0.6632395 
1 1 1 18 18 15 o -0.3299359     0.5104885     -0.3994327     0.7987814     -0.2819544     0.6637161 
1 1 1 18 18 16 o 0.6758833      0.4614424     1.359009       0.8280483     0.3681901      0.5557307 
1 1 1 18 18 17 o 1.911485       0.4605010     1.448550       0.8450180     2.107046       0.5492211 
1 1 1 18 19 0  o 11.61003       0.7662426     11.61003       0.5418153     ?              ?         
1 1 1 18 19 1  f 10.99291       0.5494074     11.17780       0.7762237     10.80728       0.7777373 
1 1 1 18 19 2  o 6.299327       0.5144809     5.781871       0.7321168     6.804169       0.7231382 
1 1 1 18 19 3  o 0.8310890      0.4778821     0.6326510      0.6969303     1.007188       0.6565320 
1 1 1 18 19 4  o 0.5256057      0.5252088     0.1144949      0.7972684     0.8407944      0.6980884 
1 1 1 18 19 5  o 3.880306       0.5727211     4.150780       0.9171302     3.707406       0.7332724 
1 1 1 18 19 6  o 4.176801       0.5566872     3.363614       0.8882539     4.702809       0.7143942 
1 1 1 18 19 7  o 5.782430       0.5661705     4.453011       0.8833791     6.709214       0.7375735 
1 1 1 18 19 8  o 7.130247       0.5690312     5.673777       0.8956943     8.115885       0.7368307 
1 1 1 18 19 9  f 10.69221       0.6022102     10.48493       0.9419912     10.83548       0.7831472 
1 1 1 18 19 10 o 6.752185       0.5635743     7.644819       0.9000530     6.176497       0.7228117 
1 1 1 18 19 11 o 1.598076       0.5433832     1.456152       0.8578402     1.693181       0.7022283 
1 1 1 18 19 12 o 1.976060       0.5457081     1.478690       0.8617007     2.309106       0.7051286 
1 1 1 18 19 13 f 2.482867       0.5506848     2.324141       0.8896328     2.581463       0.7011617 
1 1 1 18 19 14 o 1.874788       0.5618415     2.052550       0.8866516     1.755521       0.7262630 
1 1 1 18 19 15 f 0.6339136      0.5477968     1.102540       0.8658024     0.3210859      0.7073882 
1 1 1 18 20 0  o 4.003180       0.7514244     4.003180       0.5313373     ?              ?         
1 1 1 18 20 1  o 4.616569       0.5208608     4.632381       0.7496879     4.601814       0.7241904 
1 1 1 18 20 2  o 1.923986       0.5241549     1.490438       0.7476695     2.342996       0.7350262 
1 1 1 18 20 3  o 2.410662       0.5423282     2.800328       0.8010995     2.080986       0.7368573 
1 1 1 18 20 4  o 3.219165       0.5506997     3.179591       0.8266186     3.250746       0.7384349 
1 1 1 18 20 5  o 2.316587       0.5501832     2.791964       0.8337879     1.949970       0.7322218 
1 1 1 18 20 6  o 0.3626627      0.5567172     0.7516087      0.8862855     0.1091814      0.7154873 
1 1 1 18 20 7  o 0.1107048      0.5596784     -0.2068467     0.8793009     0.3269763      0.7256548 
1 1 1 18 20 8  o 1.393560       0.5673075     1.872193       0.9033462     1.081858       0.7289923 
1 1 1 18 20 9  o 0.2535298      0.5713615     -0.4529721     0.9058027     0.7203898      0.7363263 
1 1 1 18 20 10 f 1.011578       0.5694801     1.068490       0.9046317     0.9742200      0.7329335 
1 1 1 18 20 11 f 4.640250       0.5673370     5.130446       0.9008161     4.317986       0.7303941 
1 1 1 18 20 12 o 3.872002       0.5615476     3.605745       0.8769376     4.057065       0.7311032 
1 1 1 18 20 13 o 1.083987       0.5613230     0.1518187      0.8891881     1.701582       0.7237663 
1 1 1 18 21 0  o -0.1540845     0.7658538     -0.1540845     0.5415404     ?              ?         
1 1 1 18 21 1  o 0.5127044      0.5313938     0.2406900      0.7386500     0.8045133      0.7650539 
1 1 1 18 21 2  o 0.2968396      0.5622303     -0.6223384     0.8172750     1.122665       0.7746626 
1 1 1 18 21 3  f 1.663639       0.5434470     1.139240       0.8391088     2.042516       0.7132414 
1 1 1 18 21 4  o 1.188852       0.5782501     1.754922       0.8630258     0.7276923      0.7789588 
1 1 1 18 21 5  o 0.4860208      0.5608457     0.8400398      0.8455360     0.2078974      0.7494413 
1 1 1 18 21 6  o 0.2032960      0.5541502     1.117540       0.8309994     -0.5288156     0.7436323 
1 1 1 18 21 7  o 1.382246       0.5861921     -0.7066721     0.9272103     2.773062       0.7565755 
1 1 1 18 21 8  f 0.7915879      0.5818535     1.699968       0.9182109     0.1820735      0.7521433 
1 1 1 18 21 9  o 3.058927       0.6009839     3.046961       0.9573300     3.066710       0.7720778 
1 1 1 18 21 10 o 4.469718       0.5879063     4.657101       0.9306999     4.345305       0.7583660 
1 1 1 18 21 11 f 1.827188       0.6165520     1.651608       0.9625573     1.949346       0.8028767 
1 1 1 18 22 0  o 0.4301800      0.7905982     0.4301800      0.5590373     ?              ?         
1 1 1 18 22 1  o 1.564999       0.5718496     1.019068       0.8599937     1.997709       0.7656398 
1 1 1 18 22 2  o 1.782333       0.5958530     2.836029       0.8934519     0.9382620      0.7996554 
1 1 1 18 22 3  o 1.405946       0.5865278     1.120936       0.8632062     1.650388       0.7994133 
1 1 1 18 22 4  o 1.044264       0.5710804     0.6932180      0.8317623     1.357332       0.7854827 
1 1 1 18 22 5  o 0.3517702      0.5909354     0.9988793      0.8914703     -0.1554488     0.7892524 
1 1 1 18 22 6  o -0.3919069     0.5833845     -0.1217179     0.8872956     -0.5976440     0.7742672 
1 1 1 18 22 7  f -0.4877193     0.5755714     -0.5910785     0.8697373     -0.4071825     0.7677341 
1 1 1 19 0  0  o 1.206418       0.9250076     1.206418       0.6540792     ?              ?         
1 1 1 19 0  1  o 5.120375       0.6760330     5.120375       0.4780275     ?              ?         
1 1 1 19 0  2  o 15.47805       0.7370995     15.47805       0.5212080     ?              ?         
1 1 1 19 0  3  o 30.46058       0.8753646     30.46058       0.6189762     ?              ?         
1 1 1 19 0  4  o 60.21419       1.229990      60.21419       0.8697343     ?              ?         
1 1 1 19 0  5  o 56.85552       1.187129      56.85552       0.8394273     ?              ?         
1 1 1 19 0  6  o 58.18893       1.116577      58.18893       0.7895393     ?              ?         
1 1 1 19 0  7  o 33.13757       0.8146017     33.13757       0.5760103     ?              ?         
1 1 1 19 0  8  o 6.782865       0.5383622     6.782865       0.3806796     ?              ?         
1 1 1 19 0  9  o 3.020453       0.4930105     3.020453       0.3486111     ?              ?         
1 1 1 19 0  10 o -0.1548016     0.4605055     -0.1548016     0.3256266     ?              ?         
1 1 1 19 0  11 o 0.6470603      0.4489816     0.6470603      0.3174779     ?              ?         
1 1 1 19 0  12 o -0.4213165     0.4172206     -0.4213165     0.2950195     ?              ?         
1 1 1 19 0  13 f 1.103536       0.4143823     1.103536       0.2930125     ?              ?         
1 1 1 19 0  14 f 0.7325937      0.4707496     0.7325937      0.3328702     ?              ?         
1 1 1 19 0  15 o 0.7563979      0.4478590     0.7563979      0.3166841     ?              ?         
1 1 1 19 0  16 o 0.4979549      0.4274260     0.4979549      0.3022358     ?              ?         
1 1 1 19 0  17 o 0.8011839      0.4219090     0.8011839      0.2983347     ?              ?         
1 1 1 19 0  18 o 0.7181132      0.3982490     0.7181132      0.2816046     ?              ?         
1 1 1 19 0  19 o -0.1830707     0.3719576     -0.1830707     0.2630138     ?              ?         
1 1 1 19 0  20 o 0.9051821      0.3413173     0.9051821      0.2413478     ?              ?         
1 1 1 19 0  21 o 0.2029933      0.3053477     0.2029933      0.2159134     ?              ?         
1 1 1 19 0  22 o 0.1364436      1.334410      0.1364436      0.9435701     ?              ?         
1 1 1 19 0  23 o 3.053560       1.394026      3.053560       0.9857255     ?              ?         
1 1 1 19 0  24 o 0.9117563      1.382927      0.9117563      0.9778770     ?              ?         
1 1 1 19 0  25 o 2.202088       1.325354      2.202088       0.9371666     ?              ?         
1 1 1 19 0  26 f 0.3040871E-01  1.346846      0.3040871E-01  0.9523638     ?              ?         
1 1 1 19 1  0  o 6.353683       0.6678607     6.353683       0.4722489     ?              ?         
1 1 1 19 1  1  o 2.705350       0.4644372     2.852721       0.6531103     2.554589       0.6605801 
1 1 1 19 1  2  o 1.717380       0.4521315     1.186778       0.6399853     2.246080       0.6388375 
1 1 1 19 1  3  o 6.493921       0.4682842     5.738233       0.6586114     7.266561       0.6659575 
1 1 1 19 1  4  f 12.50538       0.4745825     12.88767       0.6505057     12.07037       0.6939176 
1 1 1 19 1  5  o 5.403382       0.4342429     5.264287       0.5992970     5.557136       0.6300834 
1 1 1 19 1  6  o 4.534365       0.4119888     3.868752       0.5640861     5.295371       0.6031544 
1 1 1 19 1  7  o 2.369865       0.3783153     2.080962       0.5329236     2.663357       0.5371385 
1 1 1 19 1  8  o 4.641588       0.3706982     3.926872       0.5323308     5.314477       0.5165194 
1 1 1 19 1  9  o 10.00846       0.3871984     10.71180       0.5518427     9.326436       0.5434169 
1 1 1 19 1  10 o 12.68266       0.3898208     12.55636       0.5602489     12.80120       0.5427472 
1 1 1 19 1  11 o 5.844072       0.3418621     5.658465       0.4854427     6.026687       0.4815134 
1 1 1 19 1  12 o 6.115068       0.3361631     6.807690       0.4850828     5.475082       0.4662869 
1 1 1 19 1  13 f 3.682227       0.3057758     3.774856       0.4386735     3.594688       0.4264501 
1 1 1 19 1  14 o 1.122513       0.2987363     0.9893110      0.4673388     1.214547       0.3884652 
1 1 1 19 1  15 o -0.5675308E-01 0.3117139     -0.5730985     0.4379343     0.4734790      0.4437841 
1 1 1 19 1  16 o 0.6987351      0.3004502     0.4782702      0.4231704     0.9228432      0.4266526 
1 1 1 19 1  17 o 0.4651230      0.2869517     0.4187155      0.3999152     0.5143718      0.4119756 
1 1 1 19 1  18 o 0.1881699      0.2642473     0.4956311E-02  0.3584300     0.4063148      0.3911091 
1 1 1 19 1  19 o 0.9304428      0.4104708     0.2115392      0.6563832     1.392132       0.5260137 
1 1 1 19 1  20 o 0.1591131E-01  0.3890632     -0.6994305     0.6456812     0.4236986      0.4875040 
1 1 1 19 1  21 o 0.5342998      0.3805436     0.7210095      0.6602505     0.4414229      0.4656710 
1 1 1 19 1  22 f 0.3984236      0.3740557     -0.1974758     0.6560103     0.6855026      0.4553285 
1 1 1 19 1  23 o 1.357247       0.3609206     1.236845       0.6458824     1.411914       0.4352106 
1 1 1 19 1  24 o 2.182063       0.3453515     1.997356       0.6144908     2.267340       0.4175305 
1 1 1 19 1  25 o 0.9875194      0.5911118     0.9025377      0.6296859     1.618077       1.715235  
1 1 1 19 1  26 o 0.6570702      0.3173030     0.4439905      0.5856933     0.7455894      0.3775010 
1 1 1 19 2  0  o 0.3155874      0.6634318     0.3155874      0.4691171     ?              ?         
1 1 1 19 2  1  o 2.812896       0.4620210     3.133361       0.6440125     2.473049       0.6632028 
1 1 1 19 2  2  o 1.903589       0.4563971     1.870573       0.6430998     1.937091       0.6478119 
1 1 1 19 2  3  o 9.766533       0.5538673     10.27121       0.7586338     9.190478       0.8105106 
1 1 1 19 2  4  o 9.739018       0.4568790     9.296084       0.6222355     10.25716       0.6729947 
1 1 1 19 2  5  o 11.02153       0.4605120     10.34304       0.6253989     11.82513       0.6806250 
1 1 1 19 2  6  o 5.774292       0.4206851     5.555940       0.5821494     6.012945       0.6086094 
1 1 1 19 2  7  o 10.00490       0.4298381     9.897144       0.5974466     10.12052       0.6188860 
1 1 1 19 2  8  o 18.90467       0.4650786     19.47435       0.6809777     18.40668       0.6366941 
1 1 1 19 2  9  o 28.13272       0.5158147     28.12826       0.7330394     28.13709       0.7259564 
1 1 1 19 2  10 o 8.484620       0.3696724     8.316539       0.5384532     8.634480       0.5084293 
1 1 1 19 2  11 o 1.513733       0.3224111     1.492654       0.4764284     1.531542       0.4379184 
1 1 1 19 2  12 o -0.5097123     0.3092588     -0.4072817     0.4634030     -0.5919663     0.4152625 
1 1 1 19 2  13 o 0.9378699      0.2893713     1.008790       0.4345857     0.8813813      0.3878552 
1 1 1 19 2  14 o 3.020352       0.3043495     3.692974       0.4943854     2.609885       0.3862060 
1 1 1 19 2  15 o 0.8514253      0.3086312     0.9092712      0.4460970     0.7983164      0.4274414 
1 1 1 19 2  16 o 1.655579       0.2895391     1.569793       0.4092326     1.741564       0.4097079 
1 1 1 19 2  17 o 1.856747       0.2617578     1.682754       0.3249081     2.178530       0.4418521 
1 1 1 19 2  18 o 1.976183       0.4517097     1.435577       0.7216765     2.324399       0.5791969 
1 1 1 19 2  19 o 1.169261       0.4557199     1.167952       0.7792697     1.169942       0.5618023 
1 1 1 19 2  20 o 0.1815839E-01  0.4330334     -0.2755223     0.7110328     0.1913087      0.5459634 
1 1 1 19 2  21 o 0.4799764      0.4244816     -0.2198012     0.7136704     0.8630621      0.5280386 
1 1 1 19 2  22 o 0.4871912      0.4301147     0.7983969      0.7269804     0.3195862      0.5335098 
1 1 1 19 2  23 o 0.3364103      0.4220012     0.3950200      0.7492406     0.3091779      0.5107154 
1 1 1 19 2  24 o 0.3179329E-01  0.4186769     0.2465192      0.7467214     -0.6666115E-01 0.5056313 
1 1 1 19 2  25 o 0.4032890E-01  0.4153216     0.2644441E-01  0.7538377     0.4638017E-01  0.4976636 
1 1 1 19 2  26 o 0.8702757E-01  0.3713536     0.3753552      0.7433926     -0.8845614E-02 0.4286706 
1 1 1 19 3  0  o 26.38188       0.8491029     26.38188       0.6004064     ?              ?         
1 1 1 19 3  1  o 27.91724       0.5923387     27.24195       0.8117166     28.68647       0.8663354 
1 1 1 19 3  2  o 26.95481       0.5847935     26.62564       0.7998784     27.33280       0.8571329 
1 1 1 19 3  3  o 18.51788       0.5349007     17.87423       0.7359940     19.23846       0.7787423 
1 1 1 19 3  4  o 21.91094       0.5396221     21.79478       0.7433704     22.04034       0.7845777 
1 1 1 19 3  5  o 5.248483       0.4423449     4.291753       0.6092706     6.314909       0.6432520 
1 1 1 19 3  6  o 2.971222       0.4146388     2.922662       0.5660264     3.027457       0.6091175 
1 1 1 19 3  7  o 8.035543       0.4277702     7.201435       0.5863659     8.984522       0.6254396 
1 1 1 19 3  8  o 6.964334       0.4074980     7.096511       0.5712636     6.827400       0.5814499 
1 1 1 19 3  9  f 3.413168       0.3772927     3.581001       0.5360857     3.248446       0.5310941 
1 1 1 19 3  10 o 1.063847       0.3380664     0.6969181      0.4987350     1.375759       0.4598276 
1 1 1 19 3  11 o 1.042559       0.3202368     0.9908326      0.4893959     1.081292       0.4234868 
1 1 1 19 3  12 o 1.792536       0.3135697     2.073043       0.4777186     1.580193       0.4156424 
1 1 1 19 3  13 f 3.829519       0.3183540     3.911331       0.5224051     3.781188       0.4015248 
1 1 1 19 3  14 f 5.742242       0.3100498     5.927948       0.5058126     5.630468       0.3924168 
1 1 1 19 3  15 o 8.749968       0.3454586     8.577326       0.4881476     8.923182       0.4889580 
1 1 1 19 3  16 o 6.323948       0.3072049     6.497773       0.3872142     6.028687       0.5046595 
1 1 1 19 3  17 o 3.446465       0.4828239     4.372778       0.7488247     2.787343       0.6316609 
1 1 1 19 3  18 o 0.3154140      0.4690456     0.5294936      0.7316443     0.1660376      0.6111579 
1 1 1 19 3  19 f 0.1551191      0.4590347     0.2987546      0.7539444     0.7051136E-01  0.5786468 
1 1 1 19 3  20 o 0.8169763      0.4781904     3.167783       0.7974372     -0.5030064     0.5975470 
1 1 1 19 3  21 o 1.249884       0.4756619     1.526873       0.7877131     1.090918       0.5967431 
1 1 1 19 3  22 o 0.5367138      0.4221022     0.8574674      0.7753984     0.4016336      0.5031936 
1 1 1 19 3  23 o 0.6305917      0.4241125     1.666829       0.7878742     0.2078197      0.5032462 
1 1 1 19 3  24 o -0.3177156E-02 0.4445372     -0.4846669     0.8193281     0.1976920      0.5292014 
1 1 1 19 3  25 o -0.1472436     0.4296473     0.4450511      0.8435665     -0.3547088     0.4992557 
1 1 1 19 3  26 o 0.8083005E-01  0.4357300     0.1165613E-01  0.8331728     0.1068721      0.5112121 
1 1 1 19 4  0  o 12.75103       0.6833492     12.75103       0.4832008     ?              ?         
1 1 1 19 4  1  o 22.66360       0.7110681     21.45683       1.894328      22.86152       0.7671661 
1 1 1 19 4  2  o 24.61042       0.5735597     24.45076       0.7863567     24.79191       0.8384156 
1 1 1 19 4  3  f 7.267389       0.4674109     7.210495       0.6440194     7.330712       0.6794396 
1 1 1 19 4  4  o 7.378137       0.4542678     7.389846       0.6393536     7.366199       0.6455548 
1 1 1 19 4  5  f 11.79293       0.4682406     11.01741       0.6455980     12.65365       0.6801354 
1 1 1 19 4  6  o 18.91632       0.5044079     18.52337       0.7009328     19.33838       0.7264313 
1 1 1 19 4  7  o 8.365298       0.4360028     6.774000       0.6124309     10.00069       0.6208574 
1 1 1 19 4  8  o 1.464816       0.3894606     1.988528       0.5457867     0.9214886      0.5559138 
1 1 1 19 4  9  o 1.397938       0.3653358     1.211111       0.5182857     1.582443       0.5150551 
1 1 1 19 4  10 f 1.184056       0.3614339     0.9380990      0.5160913     1.420805       0.5063378 
1 1 1 19 4  11 o 2.096799       0.3243909     2.575251       0.4960102     1.739210       0.4288083 
1 1 1 19 4  12 o 327.8470       6.753990      420.8866       10.75118      267.1919       8.680726  
1 1 1 19 4  13 o 0.5873653      0.3004184     0.2382756      0.4988576     0.7860050      0.3763059 
1 1 1 19 4  14 o 2.982460       0.2887442     3.028851       0.4804224     2.956226       0.3612768 
1 1 1 19 4  15 o 3.214366       0.2842147     2.943653       0.3955580     3.503285       0.4086418 
1 1 1 19 4  16 o 2.794260       0.5009106     2.680012       0.7593119     2.882289       0.6665145 
1 1 1 19 4  17 f 2.308686       0.4933241     1.943141       0.7519118     2.584964       0.6536865 
1 1 1 19 4  18 o 2.313585       0.4960156     1.368521       0.7926911     2.921743       0.6358892 
1 1 1 19 4  19 o 0.7798063      0.4837281     0.8913925      0.7935185     0.7138175      0.6102207 
1 1 1 19 4  20 o 0.7936677      0.4560636     1.181854       0.8070577     0.6115525      0.5527866 
1 1 1 19 4  21 o 0.1904946      0.4579975     0.2802802      0.8142117     0.1489358      0.5539436 
1 1 1 19 4  22 o 0.3601627      0.4625262     0.1893467      0.8387935     0.4347940      0.5544357 
1 1 1 19 4  23 o 0.7075716E-02  0.4584667     -0.3020135     0.8391695     0.1385862      0.5473788 
1 1 1 19 4  24 f 0.9638817      0.4694856     2.607790       0.8417887     0.2216628      0.5656273 
1 1 1 19 4  25 o 1.185750       0.4688868     1.192266       0.8756713     1.183131       0.5551842 
1 1 1 19 4  26 o 0.5249525      0.4751721     1.954416       0.9079396     -0.1426364E-01 0.5576374 
1 1 1 19 5  0  f 0.3667161      0.6278085     0.3667161      0.4439276     ?              ?         
1 1 1 19 5  1  o 2.121393       0.4725372     2.394105       0.7252669     1.920236       0.6228921 
1 1 1 19 5  2  o 5.377683       0.4414665     6.206470       0.6361946     4.607972       0.6131014 
1 1 1 19 5  3  o 9.343813       0.4780217     8.751544       0.6553341     10.01727       0.6988077 
1 1 1 19 5  4  o 3.879285       0.4374119     4.707691       0.6011433     2.947183       0.6376581 
1 1 1 19 5  5  o 3.277508       0.4270849     2.604064       0.5878596     4.030293       0.6215240 
1 1 1 19 5  6  o 2.002898       0.4098776     1.766055       0.5752021     2.247218       0.5842119 
1 1 1 19 5  7  f 0.5569012      0.3903116     1.394211       0.5574688     -0.2482473     0.5466577 
1 1 1 19 5  8  o 0.1206057      0.3827864     0.6602064      0.5515345     -0.3808708     0.5316939 
1 1 1 19 5  9  f 1.910510       0.3781227     2.106608       0.5344691     1.714004       0.5350239 
1 1 1 19 5  10 o 7.633452       0.3891192     7.880260       0.5421221     7.371173       0.5588547 
1 1 1 19 5  11 o 6.653788       0.3753440     7.022552       0.5315419     6.287030       0.5300941 
1 1 1 19 5  12 o 4.381054       0.3263809     4.601863       0.4994701     4.216506       0.4311699 
1 1 1 19 5  13 o 0.6995102      0.3011279     1.135961       0.5059536     0.4601042      0.3747233 
1 1 1 19 5  14 f 0.2730198      0.2674055     0.5496278      0.4621572     0.1338126      0.3278598 
1 1 1 19 5  15 o 0.7062164      0.2672430     0.7546061      0.3317297     0.6167442      0.4510786 
1 1 1 19 5  16 o -0.3873518     0.4979664     -0.5417294     0.7591726     -0.2707735     0.6597162 
1 1 1 19 5  17 o 1.698821       0.4640262     1.498957       0.7933956     1.802731       0.5720714 
1 1 1 19 5  18 o 1.652859       0.4639867     1.035917       0.8094764     1.954738       0.5662380 
1 1 1 19 5  19 o 1.085729       0.4756640     1.048907       0.8308998     1.103679       0.5801299 
1 1 1 19 5  20 f -0.3010350     0.4748329     -0.3317876     0.8433993     -0.2867639     0.5745399 
1 1 1 19 5  21 f 0.7620131      0.4876817     0.6999002      0.8771141     0.7898073      0.5867359 
1 1 1 19 5  22 o 0.6026378      0.5009340     0.9604293      0.8811167     0.4317643      0.6089138 
1 1 1 19 5  23 f 0.5684189      0.4878890     1.161060       0.9038931     0.3247696      0.5795670 
1 1 1 19 5  24 o 0.8600193      0.4971560     0.5607018      0.9042248     0.9897055      0.5951921 
1 1 1 19 5  25 o 0.5709725      0.4960070     1.361493       0.9207454     0.2477711      0.5887347 
1 1 1 19 6  0  o -0.2312625     0.6156611     -0.2312625     0.4353381     ?              ?         
1 1 1 19 6  1  f 0.3929605      0.4365515     0.5595976      0.6168362     0.2257378      0.6179194 
1 1 1 19 6  2  o 3.194453       0.4390074     3.329867       0.6326315     3.068676       0.6097037 
1 1 1 19 6  3  o 3.870130       0.4314743     3.838401       0.6063024     3.902687       0.6141672 
1 1 1 19 6  4  o 2.278645       0.4190859     2.632277       0.5944467     1.929194       0.5909228 
1 1 1 19 6  5  o 1.398096       0.4173968     1.044913       0.5678218     1.813286       0.6156515 
1 1 1 19 6  6  o 2.314349       0.4085416     2.193489       0.5756800     2.436977       0.5798729 
1 1 1 19 6  7  o 3.317835       0.4148972     3.577912       0.5831918     3.051306       0.5903807 
1 1 1 19 6  8  o 1.424362       0.3940145     1.862915       0.5498161     0.9613635      0.5649326 
1 1 1 19 6  9  o 1.987834       0.3804296     2.256330       0.5481768     1.738374       0.5283862 
1 1 1 19 6  10 o 0.7726242      0.3675632     1.302806       0.5372006     0.3059300      0.5040110 
1 1 1 19 6  11 o 2.166516       0.3547378     2.507415       0.5139061     1.856244       0.4902775 
1 1 1 19 6  12 o 1.522642       0.3554916     1.120141       0.5573836     1.798633       0.4615494 
1 1 1 19 6  13 f 1.318828       0.3042834     1.453046       0.5288761     1.252416       0.3720234 
1 1 1 19 6  14 o 2.215033       0.2768316     2.020932       0.4742130     2.315376       0.3409598 
1 1 1 19 6  15 o 8.272571       0.3716574     9.905881       0.5989984     7.250195       0.4739111 
1 1 1 19 6  16 f 6.320358       0.5157458     6.707202       0.8528410     6.097319       0.6475769 
1 1 1 19 6  17 o 2.190224       0.4980114     1.140035       0.8320727     2.776418       0.6216528 
1 1 1 19 6  18 o 3.048897       0.4945054     3.522920       0.8306330     2.788656       0.6154567 
1 1 1 19 6  19 o 3.548917       0.5218669     2.860303       0.8981776     3.899868       0.6412062 
1 1 1 19 6  20 o 0.7529595      0.4994765     0.8063283      0.8959346     0.7288928      0.6016468 
1 1 1 19 6  21 o -0.1185722E-01 0.5000525     -0.6312632     0.8563676     0.3086058      0.6159728 
1 1 1 19 6  22 f 1.437809       0.5140341     1.608512       0.9188896     1.360059       0.6201457 
1 1 1 19 6  23 o 1.325138       0.5267119     1.617009       0.9156532     1.180801       0.6439091 
1 1 1 19 6  24 o 0.3609149      0.5249673     1.307129       0.9256235     -0.8776525E-01 0.6373943 
1 1 1 19 6  25 o 2.068909       0.5402389     2.234242       0.9580543     1.991827       0.6541620 
1 1 1 19 7  0  o 2.592311       0.6286263     2.592311       0.4445060     ?              ?         
1 1 1 19 7  1  o 2.769537       0.4337802     2.771931       0.6157471     2.767179       0.6111938 
1 1 1 19 7  2  o 1.733049       0.4339769     0.9384491      0.6202738     2.495008       0.6074005 
1 1 1 19 7  3  o 1.211621       0.4260184     1.572172       0.6082290     0.8643838      0.5968928 
1 1 1 19 7  4  o 3.832500       0.4248445     3.245440       0.5949283     4.443408       0.6068919 
1 1 1 19 7  5  f 2.329735       0.4153527     2.004276       0.5936385     2.641858       0.5813492 
1 1 1 19 7  6  o 6.974504       0.4292615     7.673995       0.6105176     6.290606       0.6036752 
1 1 1 19 7  7  o 2.638230       0.4046197     2.677773       0.5709010     2.598320       0.5735456 
1 1 1 19 7  8  o 1.464974       0.3997654     2.094505       0.5636182     0.8276301      0.5671051 
1 1 1 19 7  9  o 4.341496       0.4006695     5.015655       0.5715849     3.690206       0.5618062 
1 1 1 19 7  10 o 5.013945       0.3933898     5.531120       0.5688974     4.540050       0.5445736 
1 1 1 19 7  11 o 0.3867674      0.3573236     0.3900889      0.5263743     0.3839285      0.4866268 
1 1 1 19 7  12 o 0.5421935      0.3539409     0.6306068      0.5510637     0.4801079      0.4617839 
1 1 1 19 7  13 o 1.402124       0.3290223     1.361227       0.5311526     1.427589       0.4191173 
1 1 1 19 7  14 o 3.715785       0.2834263     2.988627       0.4913668     4.078348       0.3469633 
1 1 1 19 7  15 o 2.858232       0.2799967     3.810829       0.3830582     1.765361       0.4102936 
1 1 1 19 7  16 o 2.623319       0.5018860     2.243598       0.8197377     2.851008       0.6347662 
1 1 1 19 7  17 o 2.951700       0.5197672     3.145017       0.8659194     2.842818       0.6498607 
1 1 1 19 7  18 o 2.239963       0.5215273     3.082921       0.8634861     1.755866       0.6543627 
1 1 1 19 7  19 o 0.4710733E-01  0.5235813     0.6428287      0.9179878     -0.2401241     0.6374282 
1 1 1 19 7  20 o 0.6064383      0.5190005     0.5041109      0.8973050     0.6578817      0.6362220 
1 1 1 19 7  21 o 0.8709712      0.5262787     1.962879       0.9418537     0.3752892      0.6345882 
1 1 1 19 7  22 o 0.4608889      0.5550239     -0.3149809     0.9833156     0.8236498      0.6723706 
1 1 1 19 7  23 o -0.4449874     0.5442909     -0.3820131     0.9567200     -0.4751239     0.6618345 
1 1 1 19 7  24 o 1.672977       0.5567369     1.722171       0.9576887     1.647865       0.6842334 
1 1 1 19 7  25 f 0.3562383E-01  0.5408716     0.3156449E-01  0.9534860     0.3754978E-01  0.6567635 
1 1 1 19 8  0  o 21.77041       0.7619038     21.77041       0.5387473     ?              ?         
1 1 1 19 8  1  o 15.77138       0.5102221     15.50631       0.7163792     16.04427       0.7268609 
1 1 1 19 8  2  o 5.590058       0.4513932     5.571668       0.6436022     5.607861       0.6332564 
1 1 1 19 8  3  o 3.049769       0.4362530     2.940049       0.6114964     3.163496       0.6225622 
1 1 1 19 8  4  o 1.015367       0.4277338     0.7578973      0.6068895     1.269500       0.6029438 
1 1 1 19 8  5  o 2.484434       0.4240773     1.996979       0.5994959     2.972670       0.5999760 
1 1 1 19 8  6  o 5.321126       0.4265527     4.426876       0.6099472     6.177077       0.5967429 
1 1 1 19 8  7  o 6.603420       0.4267100     6.124248       0.6079543     7.068678       0.5990623 
1 1 1 19 8  8  o 4.345070       0.4195986     4.226459       0.6090645     4.452219       0.5788890 
1 1 1 19 8  9  f 5.305796       0.4056876     5.459188       0.5954233     5.172888       0.5542453 
1 1 1 19 8  10 o 10.86543       0.4326841     11.39095       0.6239460     10.37861       0.6005404 
1 1 1 19 8  11 o 13.55385       0.4453785     13.61139       0.6927827     13.51331       0.5814614 
1 1 1 19 8  12 o 8.091849       0.3985355     8.498590       0.6392547     7.833248       0.5097189 
1 1 1 19 8  13 o 7.092301       0.3691908     7.240779       0.5909328     6.997243       0.4728261 
1 1 1 19 8  14 o 7.945813       0.3529093     7.597899       0.5546051     8.182540       0.4574796 
1 1 1 19 8  15 f 4.373340       0.3239381     4.502404       0.4508941     4.235661       0.4656997 
1 1 1 19 8  16 f 0.8318295      0.5080847     0.4274474      0.8566864     1.051249       0.6310494 
1 1 1 19 8  17 o 0.3958748      0.5099323     0.4088727      0.8846653     0.3894074      0.6240309 
1 1 1 19 8  18 o 1.068575       0.5382575     0.3610838      0.9116535     1.447183       0.6669056 
1 1 1 19 8  19 o 0.9033564      0.5381669     0.6737276      0.9346952     1.017230       0.6582167 
1 1 1 19 8  20 o 0.7649347      0.5435417     0.9870515      0.9299019     0.6496633      0.6698955 
1 1 1 19 8  21 o 1.378012       0.5636524     2.283589       0.9754538     0.9240783      0.6906212 
1 1 1 19 8  22 o 1.151007       0.5770752     1.176500       1.006034      1.138506       0.7045014 
1 1 1 19 8  23 f -0.8449538     0.5695215     -0.8116614     0.9697192     -0.8624839     0.7036643 
1 1 1 19 8  24 f 0.6445777      0.5718083     0.9866160      0.9853588     0.4709128      0.7021227 
1 1 1 19 9  0  o 0.5741069      0.6174082     0.5741069      0.4365735     ?              ?         
1 1 1 19 9  1  o 3.422277       0.4363253     3.814256       0.6129580     3.019635       0.6212397 
1 1 1 19 9  2  o 3.654013       0.4534684     4.213260       0.6237784     3.027194       0.6603888 
1 1 1 19 9  3  o 5.214137       0.4435920     4.835849       0.6289710     5.588511       0.6257092 
1 1 1 19 9  4  o 14.07297       0.4845998     14.19198       0.6919078     13.95839       0.6789316 
1 1 1 19 9  5  o 27.45628       0.5650093     27.35508       0.8006562     27.55666       0.7974411 
1 1 1 19 9  6  o 15.60201       0.4820163     15.71117       0.6855580     15.49530       0.6778551 
1 1 1 19 9  7  f 0.3873290      0.4371171     -0.1267085     0.6419350     0.8317350      0.5968753 
1 1 1 19 9  8  o 0.6003243      0.4116569     0.1854900      0.5990706     0.9714407      0.5666249 
1 1 1 19 9  9  o 0.1833582      0.3711331     0.4954217      0.5629138     -0.5659618E-01 0.4936109 
1 1 1 19 9  10 f 2.252775       0.3751687     1.689913       0.5643410     2.698530       0.5022138 
1 1 1 19 9  11 o 1.130976       0.3800888     0.8213741      0.6269738     1.310872       0.4779240 
1 1 1 19 9  12 o 4.918478       0.3956583     4.087979       0.6289896     5.462268       0.5089673 
1 1 1 19 9  13 o 3.516580       0.3626459     3.539531       0.5813167     3.501958       0.4640051 
1 1 1 19 9  14 o 4.463079       0.3511081     5.083427       0.5823380     4.108769       0.4400980 
1 1 1 19 9  15 o 2.189633       0.2984306     2.218439       0.4932415     2.172998       0.3748207 
1 1 1 19 9  16 o 1.975464       0.5558072     0.7740765      0.9012575     2.712802       0.7060587 
1 1 1 19 9  17 o 0.3658499      0.5522579     0.7192587      0.9402829     0.1797375      0.6823505 
1 1 1 19 9  18 o 0.7487821      0.5573467     0.3951112      0.9285147     0.9479876      0.6968508 
1 1 1 19 9  19 o 0.2895235      0.5668853     -0.2195082     0.9610339     0.5611517      0.7020268 
1 1 1 19 9  20 o 0.5701204      0.5692063     0.5661058      0.9642177     0.5722678      0.7051944 
1 1 1 19 9  21 o 1.594024       0.5826424     1.644105       0.9989834     1.568205       0.7172721 
1 1 1 19 9  22 o 1.511316       0.5876312     -0.4076040     0.9904575     2.553675       0.7299885 
1 1 1 19 9  23 f 1.623067       0.6026832     1.989276       1.035823      1.435641       0.7410313 
1 1 1 19 9  24 o 1.506709       0.6070589     1.589029       1.013250      1.460615       0.7581992 
1 1 1 19 10 0  o 1.196747       0.6129202     1.196747       0.4334000     ?              ?         
1 1 1 19 10 1  o 2.118405       0.4391919     2.335306       0.6241704     1.905705       0.6180964 
1 1 1 19 10 2  o 0.4889563      0.4317995     0.1130532E-01  0.6110469     0.9653892      0.6102672 
1 1 1 19 10 3  o 1.228152       0.4324189     0.7309562      0.6108577     1.727552       0.6122100 
1 1 1 19 10 4  o 1.772891       0.4274807     1.935429       0.6089031     1.614920       0.6002870 
1 1 1 19 10 5  o 4.018843       0.4281561     4.080532       0.6086326     3.958406       0.6024235 
1 1 1 19 10 6  o 9.856919       0.4662824     10.00498       0.6731879     9.720381       0.6464691 
1 1 1 19 10 7  o 7.086584       0.4480644     6.929466       0.6455020     7.232678       0.6224445 
1 1 1 19 10 8  o 2.631055       0.3975864     2.620397       0.6014616     2.639326       0.5298635 
1 1 1 19 10 9  o 1.364109       0.3878567     1.133870       0.5818864     1.548185       0.5202918 
1 1 1 19 10 10 o 3.924506       0.4133520     3.806980       0.6578408     4.001180       0.5313462 
1 1 1 19 10 11 o 3.025582       0.4073731     3.363986       0.6617424     2.819077       0.5169359 
1 1 1 19 10 12 o 2.941435       0.3948083     2.740315       0.6412235     3.064232       0.5010434 
1 1 1 19 10 13 o 2.678799       0.3714336     2.546999       0.6140100     2.754867       0.4664621 
1 1 1 19 10 14 o 2.530289       0.3684836     2.740553       0.5975915     2.401301       0.4680552 
1 1 1 19 10 15 o 1.598397       0.3254612     1.203332       0.5376924     1.826835       0.4088694 
1 1 1 19 10 16 o 1.055825       0.2315721     0.8634880      0.4476366     1.126107       0.2705942 
1 1 1 19 10 17 o 1.325240       0.5498814     -0.6502863     0.9133973     2.448216       0.6886579 
1 1 1 19 10 18 f 0.3209626      0.5543725     0.9709089E-01  0.9457616     0.4381454      0.6842486 
1 1 1 19 10 19 o 0.5073632      0.5747700     0.6786534      0.9876526     0.4196438      0.7067825 
1 1 1 19 10 20 o 0.2291077      0.5883811     -0.6563203     1.003587      0.6928455      0.7262978 
1 1 1 19 10 21 o 1.494479       0.6081753     3.098589       1.038021      0.6559892      0.7504777 
1 1 1 19 10 22 o 1.598026       0.6196154     2.106380       1.048875      1.325526       0.7679344 
1 1 1 19 10 23 o 0.1955394      0.5969410     -0.9145598     1.038321      0.7435948      0.7295634 
1 1 1 19 11 0  o 1.634472       0.6178173     1.634472       0.4368628     ?              ?         
1 1 1 19 11 1  o 2.536489       0.4437451     2.495422       0.6413516     2.574201       0.6146034 
1 1 1 19 11 2  o 2.801497       0.4404427     2.487621       0.6355735     3.091492       0.6109179 
1 1 1 19 11 3  o 3.709863       0.4422301     3.858118       0.6395985     3.574073       0.6121216 
1 1 1 19 11 4  o 2.911722       0.4326810     3.089126       0.6141926     2.736938       0.6096393 
1 1 1 19 11 5  o 3.850460       0.4352762     3.884000       0.6263401     3.819131       0.6053436 
1 1 1 19 11 6  o 6.440624       0.4290347     7.163425       0.6464159     5.871521       0.5735856 
1 1 1 19 11 7  o 5.219836       0.4243561     5.728605       0.6404531     4.821673       0.5665751 
1 1 1 19 11 8  f 4.170950       0.4157439     3.825230       0.6236212     4.447517       0.5577753 
1 1 1 19 11 9  o 0.2100517      0.4018930     -0.7554632E-01 0.5984933     0.4445958      0.5423678 
1 1 1 19 11 10 f 1.894041       0.4129753     2.960434       0.6684312     1.235685       0.5252045 
1 1 1 19 11 11 o 2.847782       0.4031491     3.018241       0.6457463     2.738905       0.5160820 
1 1 1 19 11 12 o 2.786498       0.4046857     2.684012       0.6454865     2.852870       0.5194526 
1 1 1 19 11 13 o 2.143723       0.3948608     2.841434       0.6420271     1.719256       0.5007684 
1 1 1 19 11 14 o 1.014924       0.3794400     1.594768       0.6269106     0.6797082      0.4766639 
1 1 1 19 11 15 o 1.032645       0.3513349     1.114511       0.5886909     0.9873543      0.4378634 
1 1 1 19 11 16 o 0.9987413      0.2857727     0.8405976      0.5364598     1.061398       0.3376716 
1 1 1 19 11 17 o 2.838263       0.2646025     2.934618       0.4552095     2.789093       0.3251818 
1 1 1 19 11 18 o 2.201853       0.5884241     1.849237       1.001773      2.387597       0.7270692 
1 1 1 19 11 19 o 0.4574549      0.5984004     -0.4790596     1.029192      0.9357390      0.7354987 
1 1 1 19 11 20 o 0.1286727      0.6142227     -0.1991619     1.039431      0.3045705      0.7613747 
1 1 1 19 11 21 o 1.009652       0.6119234     1.136378       1.040642      0.9426738      0.7565417 
1 1 1 19 11 22 o -0.4077104     0.6196409     -0.6479321     1.065198      -0.2848445     0.7617977 
1 1 1 19 11 23 f 0.2398087      0.8505727     2.116845       1.641085      -0.4496347     0.9945899 
1 1 1 19 12 0  f 27.29873       0.8345159     27.29873       0.5900918     ?              ?         
1 1 1 19 12 1  o 34.28148       0.6378656     34.20023       0.9034976     34.36222       0.9006655 
1 1 1 19 12 2  o 29.78608       0.6072088     29.47043       0.8690623     30.08713       0.8487442 
1 1 1 19 12 3  o 20.70074       0.5381766     20.62294       0.7651963     20.77689       0.7570622 
1 1 1 19 12 4  o 10.13200       0.4761880     9.471475       0.6850231     10.74964       0.6624091 
1 1 1 19 12 5  o 10.53914       0.4581161     10.33291       0.6779242     10.71246       0.6214955 
1 1 1 19 12 6  o 11.51680       0.4688625     13.34657       0.7032298     10.05250       0.6290909 
1 1 1 19 12 7  o 5.228741       0.4378000     4.823227       0.6552073     5.555825       0.5884449 
1 1 1 19 12 8  o 3.471300       0.4228200     3.616997       0.6377297     3.357019       0.5648052 
1 1 1 19 12 9  o 3.500978       0.4355250     3.935445       0.7001784     3.226795       0.5562252 
1 1 1 19 12 10 o 2.053071       0.4330007     2.800212       0.6805039     1.544787       0.5612841 
1 1 1 19 12 11 o 0.7779995      0.4214363     1.041497       0.6761779     0.6106243      0.5389122 
1 1 1 19 12 12 o 3.002423       0.4119812     3.776286       0.6668462     2.524721       0.5239284 
1 1 1 19 12 13 o 1.730158       0.4114278     2.003263       0.6746067     1.568416       0.5191548 
1 1 1 19 12 14 o 0.8307591      0.3969514     0.7049592      0.6612432     0.9016361      0.4963339 
1 1 1 19 12 15 o -0.1453201     0.3760921     -0.2773987     0.6260082     -0.7072404E-01 0.4704588 
1 1 1 19 12 16 o 1.124847       0.3188309     0.4883999      0.6072146     1.367105       0.3746287 
1 1 1 19 12 17 o 3.808996       0.3115850     2.131160       0.5900414     4.457808       0.3669164 
1 1 1 19 12 18 o 3.170979       0.2782064     3.061077       0.4853982     3.224745       0.3395038 
1 1 1 19 12 19 o 5.208577       0.6177439     6.614013       1.059131      4.483961       0.7604979 
1 1 1 19 12 20 o 1.250728       0.6066669     0.7915686      1.046957      1.482835       0.7443743 
1 1 1 19 12 21 f -0.1777046E-01 0.6158431     -1.234598      1.076964      0.5734462      0.7506890 
1 1 1 19 12 22 o 0.6826112      0.6239949     -0.1171742     1.050075      1.119199       0.7758344 
1 1 1 19 13 0  o 11.29696       0.7183096     11.29696       0.5079216     ?              ?         
1 1 1 19 13 1  f 3.350474       0.4555640     3.362341       0.6533018     3.339241       0.6355927 
1 1 1 19 13 2  f 0.3781638      0.4455489     0.4344396      0.6432326     0.3262598      0.6177426 
1 1 1 19 13 3  o 3.428051       0.4547195     3.078673       0.6581295     3.747186       0.6290002 
1 1 1 19 13 4  f 3.224147       0.4350346     3.324143       0.6497117     3.142878       0.5857165 
1 1 1 19 13 5  o 4.548672       0.4461044     4.585650       0.6751217     4.520013       0.5943440 
1 1 1 19 13 6  o 2.273009       0.4320853     2.136385       0.6453362     2.384025       0.5817243 
1 1 1 19 13 7  o 1.653232       0.4238568     1.803696       0.6438548     1.538152       0.5630808 
1 1 1 19 13 8  o 4.753850       0.4329444     5.603878       0.6592536     4.109246       0.5740939 
1 1 1 19 13 9  o 4.912991       0.4562752     3.994859       0.7183921     5.533787       0.5907224 
1 1 1 19 13 10 o 0.3893698      0.4433946     0.8567736      0.6988903     0.7451163E-01  0.5736148 
1 1 1 19 13 11 o 0.5349329      0.4261827     -0.5750566     0.6981009     1.194405       0.5380924 
1 1 1 19 13 12 f 1.869369       0.4280031     0.6689522      0.6897140     2.621117       0.5458071 
1 1 1 19 13 13 o 5.842319       0.4468090     5.562681       0.7012358     6.033444       0.5797291 
1 1 1 19 13 14 o 5.199793       0.4294797     5.121501       0.6973845     5.247628       0.5451159 
1 1 1 19 13 15 o 1.865736       0.4232343     2.188537       0.6828638     1.664387       0.5393133 
1 1 1 19 13 16 o 1.949336       0.3531623     1.497586       0.6634492     2.127955       0.4171793 
1 1 1 19 13 17 o 4.693427       0.3550071     4.787055       0.6571353     4.654839       0.4218668 
1 1 1 19 13 18 o 2.155954       0.3149062     1.184270       0.6150424     2.501185       0.3666044 
1 1 1 19 13 19 o 0.7764902      0.2849431     0.7705184      0.5198517     0.7790548      0.3406791 
1 1 1 19 13 20 o 0.6242511      0.6317779     0.5132698      1.079116      0.6821297      0.7792969 
1 1 1 19 13 21 o -0.1961423     0.6147425     -0.1369285     1.056865      -0.2264206     0.7557431 
1 1 1 19 14 0  o 6.937068       0.6926488     6.937068       0.4897767     ?              ?         
1 1 1 19 14 1  o 7.304657       0.4783005     6.779860       0.6801880     7.817980       0.6727120 
1 1 1 19 14 2  f 5.752039       0.4736396     4.539976       0.6940353     6.808605       0.6479881 
1 1 1 19 14 3  o 0.2403960      0.4367569     -0.4227013E-01 0.6504016     0.4725459      0.5894255 
1 1 1 19 14 4  o 1.452649       0.4477487     1.238997       0.6805262     1.615736       0.5945675 
1 1 1 19 14 5  o 1.540568       0.4511570     1.368445       0.6743571     1.680029       0.6070087 
1 1 1 19 14 6  o 4.254547       0.4584590     4.215940       0.6753693     4.287541       0.6243500 
1 1 1 19 14 7  o 8.194391       0.4800064     8.452097       0.6936632     7.957605       0.6649122 
1 1 1 19 14 8  o 6.192530       0.4783354     5.572315       0.7584088     6.602220       0.6163963 
1 1 1 19 14 9  o 1.770448       0.4631931     0.7248027      0.7284017     2.480340       0.6001709 
1 1 1 19 14 10 o 1.496318       0.4537731     1.733003       0.7581352     1.364192       0.5664417 
1 1 1 19 14 11 o 1.425201       0.4530973     1.453495       0.7348297     1.407844       0.5755259 
1 1 1 19 14 12 o 0.4070117      0.4424441     0.2050726      0.7251115     0.5267916      0.5584530 
1 1 1 19 14 13 o 2.888280       0.4574035     3.054474       0.7622199     2.794750       0.5718048 
1 1 1 19 14 14 o 6.751827       0.4703152     7.456224       0.7557852     6.306674       0.6008196 
1 1 1 19 14 15 o 11.85639       0.4971085     12.56667       0.7809121     11.37246       0.6445780 
1 1 1 19 14 16 o 9.212818       0.4221338     9.563512       0.7616487     9.057330       0.5071535 
1 1 1 19 14 17 o 4.408957       0.3854673     4.710813       0.7089974     4.282291       0.4592761 
1 1 1 19 14 18 o 1.008344       0.3537193     0.4190774      0.6797084     1.227194       0.4142284 
1 1 1 19 14 19 f 0.1893181      0.3172836     1.032514       0.6429281     -0.8214641E-01 0.3647998 
1 1 1 19 14 20 o 0.3782340      0.2835919     1.063394       0.5757555     0.1587592      0.3258626 
1 1 1 19 15 0  o 2.252366       0.6626633     2.252366       0.4685737     ?              ?         
1 1 1 19 15 1  o 0.4289934      0.4518016     0.8252812      0.6553770     0.7010189E-01  0.6236881 
1 1 1 19 15 2  o 1.007609       0.4569537     1.242942       0.6809050     0.8147740      0.6163646 
1 1 1 19 15 3  o 4.782713       0.4730731     5.152453       0.6986786     4.469696       0.6428550 
1 1 1 19 15 4  o 8.314199       0.4875027     8.861008       0.7287791     7.871367       0.6558406 
1 1 1 19 15 5  o 6.767647       0.4859582     6.681428       0.7113912     6.843081       0.6654082 
1 1 1 19 15 6  o 4.303852       0.5308099     3.502029       0.8887357     4.748497       0.6618210 
1 1 1 19 15 7  o 1.112802       0.4781708     1.376492       0.7554086     0.9365072      0.6176682 
1 1 1 19 15 8  o 1.011496       0.4880060     1.145833       0.7683962     0.9206826      0.6317782 
1 1 1 19 15 9  o 0.8776214      0.4670625     1.473196       0.7520173     0.5036157      0.5959349 
1 1 1 19 15 10 o -0.1324028     0.4649881     0.3088624      0.7535052     -0.4037895     0.5909227 
1 1 1 19 15 11 o 0.8419257      0.4601171     0.6390585      0.7769561     0.9515015      0.5710154 
1 1 1 19 15 12 o -0.3895919     0.4678745     -0.8135413     0.7422938     -0.1101367     0.6026636 
1 1 1 19 15 13 f 3.362115       0.4728458     3.575991       0.7692707     3.232241       0.5994600 
1 1 1 19 15 14 f 3.602101       0.4813057     3.947433       0.7871571     3.395901       0.6082586 
1 1 1 19 15 15 f 2.223436       0.4664988     2.285583       0.7427254     2.182946       0.5995049 
1 1 1 19 15 16 o 1.172011       0.3933571     1.592436       0.7443451     1.009103       0.4633411 
1 1 1 19 15 17 o 1.126970       0.4029095     1.243524       0.7607692     1.081534       0.4749933 
1 1 1 19 15 18 o 0.7818426      0.3831110     0.7498664      0.7362968     0.7937136      0.4486232 
1 1 1 19 15 19 o -0.7019985E-01 0.3639967     -0.7815942     0.7219308     0.1722943      0.4214936 
1 1 1 19 16 0  o 1.782096       0.6325805     1.782096       0.4473019     ?              ?         
1 1 1 19 16 1  o 2.318881       0.4759645     1.719044       0.7003624     2.833678       0.6488196 
1 1 1 19 16 2  o 3.479229       0.4828574     3.069794       0.6967486     3.857579       0.6697766 
1 1 1 19 16 3  f 7.989508       0.4950876     8.690849       0.7309988     7.395183       0.6729207 
1 1 1 19 16 4  o 6.934661       0.5003343     5.752096       0.7367000     7.947124       0.6816600 
1 1 1 19 16 5  o 0.7449824      0.4773832     0.1841367      0.6938278     1.249174       0.6578515 
1 1 1 19 16 6  o 1.743793       0.4705899     2.149896       0.6733478     1.356053       0.6579485 
1 1 1 19 16 7  o 3.045184       0.4865915     3.908025       0.7713468     2.474850       0.6271172 
1 1 1 19 16 8  o 0.6687619      0.4941868     1.235809       0.7890749     0.3028056      0.6339035 
1 1 1 19 16 9  o 1.653465       0.4872162     2.644727       0.7930952     1.052614       0.6174678 
1 1 1 19 16 10 o 3.141337       0.5122713     3.571693       0.8130416     2.858018       0.6596842 
1 1 1 19 16 11 o 2.391753       0.4973442     3.086333       0.8078112     1.967760       0.6311435 
1 1 1 19 16 12 o 1.594508       0.4914322     2.200343       0.7969292     1.222769       0.6242536 
1 1 1 19 16 13 o 4.217338       0.5057637     4.309145       0.8200108     4.160969       0.6425350 
1 1 1 19 16 14 o 6.211820       0.5047395     5.993979       0.8088325     6.350756       0.6459453 
1 1 1 19 16 15 o 3.540858       0.5030731     2.883141       0.8095534     3.954626       0.6421030 
1 1 1 19 16 16 o 0.6218431      0.4129916     0.6412997      0.7511653     0.6134136      0.4944257 
1 1 1 19 16 17 o -0.8669682     0.4048985     -1.350582      0.7625163     -0.6770588     0.4778297 
1 1 1 19 16 18 o 0.7121629      0.4090840     0.4994928      0.7762068     0.7939519      0.4813620 
1 1 1 19 17 0  o -0.2746697     0.6676942     -0.2746697     0.4721311     ?              ?         
1 1 1 19 17 1  o 1.657052       0.4666503     1.758636       0.6476734     1.547387       0.6729379 
1 1 1 19 17 2  o 5.310828       0.4995369     5.684011       0.7352297     4.990846       0.6808087 
1 1 1 19 17 3  o 4.831607       0.5053067     5.125915       0.7469807     4.583306       0.6861158 
1 1 1 19 17 4  o 2.671613       0.4928509     2.507013       0.7144588     2.821049       0.6807549 
1 1 1 19 17 5  o 0.1137815      0.4835088     0.5214037      0.7030472     -0.2520390     0.6660235 
1 1 1 19 17 6  o 0.6742111      0.5203407     0.4005823      0.8161967     0.8615708      0.6753858 
1 1 1 19 17 7  o 1.781824       0.5218038     1.611250       0.8188414     1.898452       0.6770869 
1 1 1 19 17 8  o 3.421576       0.5344353     3.581965       0.8577935     3.319817       0.6832517 
1 1 1 19 17 9  o 3.508129       0.5260420     3.087360       0.8514073     3.767928       0.6690127 
1 1 1 19 17 10 o 0.9667245E-01  0.4982444     0.9715184      0.7983056     -0.4615629     0.6376936 
1 1 1 19 17 11 o 0.6063450      0.5043384     0.3615158      0.8043081     0.7649832      0.6474327 
1 1 1 19 17 12 o 0.9853175      0.5159692     1.046297       0.8433262     0.9488343      0.6523063 
1 1 1 19 17 13 o -0.1578539     0.5163075     -0.3118518     0.8307791     -0.6094704E-01 0.6590306 
1 1 1 19 17 14 o 0.3489484      0.5124777     0.5564081      0.8145526     0.2130269      0.6593201 
1 1 1 19 17 15 o 0.8759841      0.5141893     0.3100726      0.8321022     1.225565       0.6539975 
1 1 1 19 17 16 f 0.7291508      0.4380704     0.5281720      0.8212991     0.8090655      0.5178925 
1 1 1 19 18 0  o 2.143142       0.7090994     2.143142       0.5014090     ?              ?         
1 1 1 19 18 1  o 1.817584       0.5005912     3.098172       0.6970628     0.4538028      0.7193487 
1 1 1 19 18 2  o 0.7805926E-01  0.4822388     0.4094202E-01  0.6681951     0.1184078      0.6966733 
1 1 1 19 18 3  o -0.4669256     0.5085906     0.3443362      0.7382773     -1.199651      0.7016324 
1 1 1 19 18 4  o 1.784814       0.5150765     1.919565       0.7540981     1.666967       0.7052130 
1 1 1 19 18 5  f 4.421926       0.5551367     4.509003       0.8567637     4.358912       0.7288259 
1 1 1 19 18 6  o 11.22189       0.5814872     11.92378       0.9038451     10.72623       0.7595445 
1 1 1 19 18 7  o 7.535007       0.5724165     8.105268       0.8875622     7.128901       0.7490004 
1 1 1 19 18 8  o 1.506433       0.5385181     1.634788       0.8555867     1.422223       0.6930108 
1 1 1 19 18 9  o 1.197278       0.5449704     -0.7242147E-01 0.8719562     2.011177       0.6981190 
1 1 1 19 18 10 o 2.953771       0.5355684     3.734074       0.8700542     2.477727       0.6795759 
1 1 1 19 18 11 o 1.612574       0.5336394     1.835817       0.8659750     1.475899       0.6775799 
1 1 1 19 18 12 o 1.681693       0.5435364     0.7506189      0.8337108     2.369982       0.7168173 
1 1 1 19 18 13 o 0.7191194      0.5281959     0.8377612      0.8368392     0.6405548      0.6809835 
1 1 1 19 18 14 o 0.9009290      0.5344690     0.9049767      0.8524267     0.8983069      0.6860772 
1 1 1 19 18 15 o -0.4923909E-01 0.5768911     0.4220775      1.134759      -0.2135076     0.6699222 
1 1 1 19 19 0  o 1.165858       0.7249665     1.165858       0.5126287     ?              ?         
1 1 1 19 19 1  o -0.2859895     0.5111362     0.8089092E-01  0.7225566     -0.6534780     0.7231553 
1 1 1 19 19 2  f 0.5817671      0.5110623     0.8659158      0.7257814     0.3023149      0.7197585 
1 1 1 19 19 3  o 0.7797794      0.5067597     0.7168213      0.7191971     0.8418591      0.7141624 
1 1 1 19 19 4  o -0.6023785     0.5464548     -0.7912570     0.8483683     -0.4684450     0.7143940 
1 1 1 19 19 5  o -0.3067238E-01 0.5529359     0.5741869      0.8499261     -0.4745332     0.7280772 
1 1 1 19 19 6  o 0.7813817      0.5616676     0.7021739      0.8951407     0.8328171      0.7213385 
1 1 1 19 19 7  f 2.129921       0.5626441     1.300132       0.8757733     2.713133       0.7342115 
1 1 1 19 19 8  o 4.006152       0.5711559     3.577790       0.9078954     4.286724       0.7347707 
1 1 1 19 19 9  f 4.521213       0.5758899     4.486893       0.9116684     4.544001       0.7428702 
1 1 1 19 19 10 o 5.033635       0.5714452     5.296381       0.8998830     4.856084       0.7397404 
1 1 1 19 19 11 o 3.479986       0.5659290     2.935081       0.9121725     3.820990       0.7215990 
1 1 1 19 19 12 o 2.368264       0.5523300     2.703974       0.8986102     2.164427       0.7002150 
1 1 1 19 19 13 o 1.000332       0.5918198     0.2740889      1.030617      1.357629       0.7228879 
1 1 1 19 20 0  o 6.012602       0.7990812     6.012602       0.5650358     ?              ?         
1 1 1 19 20 1  o 5.797835       0.5564831     5.565333       0.7856783     6.031892       0.7883004 
1 1 1 19 20 2  o 1.863320       0.5479960     2.539231       0.7647188     1.149861       0.7856728 
1 1 1 19 20 3  o 1.071403       0.5180919     1.243888       0.7432419     0.9083744      0.7225802 
1 1 1 19 20 4  o 0.1052262      0.5644855     -0.8535876     0.8361087     0.9083096      0.7652017 
1 1 1 19 20 5  o 0.9990447      0.5824538     0.2220822      0.9002441     1.558454       0.7638799 
1 1 1 19 20 6  o 1.680471       0.5826264     1.506951       0.9242608     1.794888       0.7505221 
1 1 1 19 20 7  o 0.3265513      0.5706139     -0.3991786     0.8990249     0.8161401      0.7384139 
1 1 1 19 20 8  o 0.1809193      0.5693792     -0.4913066     0.9067566     0.6185183      0.7315958 
1 1 1 19 20 9  o 0.6447981      0.5867434     -0.4227093     0.9165925     1.385931       0.7637283 
1 1 1 19 20 10 o 2.515442       0.5754888     1.851389       0.9134097     2.952557       0.7410755 
1 1 1 19 21 0  o 1.381059       0.7667452     1.381059       0.5421707     ?              ?         
1 1 1 19 21 1  o 0.9775756      0.5488355     1.075667       0.7812950     0.8820166      0.7711457 
1 1 1 19 21 2  o 2.281798       0.5630856     2.402448       0.7930737     2.159151       0.7996131 
1 1 1 19 21 3  o 6.369275       0.5917353     6.341031       0.8839715     6.392206       0.7965237 
1 1 1 19 21 4  o 6.670451       0.6060795     6.447319       0.8889595     6.864257       0.8284842 
1 1 1 19 21 5  o 4.652545       0.6148412     4.140864       0.9453065     5.027720       0.8094496 
1 1 1 19 21 6  o 1.689311       0.5841916     0.7068401      0.8983930     2.409096       0.7689673 
1 1 1 19 21 7  o 0.9574915      0.6045919     0.8097582      0.9914663     1.044946       0.7628356 
1 1 1 20 0  0  o 67.74471       1.875146      67.74471       1.325929      ?              ?         
1 1 1 20 0  1  f 43.06289       1.011601      43.06289       0.7153099     ?              ?         
1 1 1 20 0  2  f 13.17116       0.7089787     13.17116       0.5013236     ?              ?         
1 1 1 20 0  3  o 0.4619843      0.6152572     0.4619843      0.4350525     ?              ?         
1 1 1 20 0  4  o 23.34544       0.7890226     23.34544       0.5579232     ?              ?         
1 1 1 20 0  5  o 58.22501       1.190324      58.22501       0.8416865     ?              ?         
1 1 1 20 0  6  o 33.20266       0.8088068     33.20266       0.5719128     ?              ?         
1 1 1 20 0  7  o 3.671252       0.5237938     3.671252       0.3703782     ?              ?         
1 1 1 20 0  8  o 5.335288       0.5253648     5.335288       0.3714890     ?              ?         
1 1 1 20 0  9  o 8.663393       0.5467257     8.663393       0.3865934     ?              ?         
1 1 1 20 0  10 o 0.7456967      0.4866551     0.7456967      0.3441171     ?              ?         
1 1 1 20 0  11 o 0.5747358      0.4546510     0.5747358      0.3214868     ?              ?         
1 1 1 20 0  12 o -0.4077121     0.4453179     -0.4077121     0.3148873     ?              ?         
1 1 1 20 0  13 o 0.6337492      0.4417862     0.6337492      0.3123900     ?              ?         
1 1 1 20 0  14 o 0.2580717E-02  0.4184037     0.2580717E-02  0.2958561     ?              ?         
1 1 1 20 0  15 o 0.9803064E-01  0.4820422     0.9803064E-01  0.3408553     ?              ?         
1 1 1 20 0  16 o -0.2144211E-01 0.4545582     -0.2144211E-01 0.3214211     ?              ?         
1 1 1 20 0  17 o -0.1498952     0.4446985     -0.1498952     0.3144493     ?              ?         
1 1 1 20 0  18 o 0.8080940      0.4353326     0.8080940      0.3078266     ?              ?         
1 1 1 20 0  19 o 2.102617       0.4225684     2.102617       0.2988009     ?              ?         
1 1 1 20 0  20 o 1.468897       0.3769684     1.468897       0.2665569     ?              ?         
1 1 1 20 0  21 o 0.9350038      0.3455702     0.9350038      0.2443550     ?              ?         
1 1 1 20 0  22 o 1.657644       1.310927      1.657644       0.9269651     ?              ?         
1 1 1 20 0  23 f 1.027305       1.335078      1.027305       0.9440424     ?              ?         
1 1 1 20 0  24 o -0.6612145     1.360505      -0.6612145     0.9620219     ?              ?         
1 1 1 20 0  25 o 0.9388945      1.399883      0.9388945      0.9898668     ?              ?         
1 1 1 20 1  0  o 5.949852       0.6604293     5.949852       0.4669940     ?              ?         
1 1 1 20 1  1  o 4.671407       0.4537777     5.062992       0.6357016     4.264586       0.6479509 
1 1 1 20 1  2  o 2.196464       0.4378489     1.498960       0.6030961     2.973843       0.6366926 
1 1 1 20 1  3  o 3.312343       0.4393701     3.116527       0.6148959     3.516619       0.6280389 
1 1 1 20 1  4  o 4.992315       0.4240544     4.402573       0.5822144     5.658654       0.6188698 
1 1 1 20 1  5  f 3.262258       0.4072028     2.754097       0.5650802     3.811179       0.5873060 
1 1 1 20 1  6  o 14.10494       0.4508302     14.11638       0.6201100     14.09210       0.6565936 
1 1 1 20 1  7  o 20.96994       0.4760975     19.98865       0.6714177     21.96232       0.6752054 
1 1 1 20 1  8  o 12.44396       0.4169571     11.69261       0.5925373     13.18092       0.5868367 
1 1 1 20 1  9  o 4.340353       0.3634872     4.162762       0.5132678     4.519029       0.5148328 
1 1 1 20 1  10 f 3.121479       0.3446647     2.921701       0.4898475     3.317360       0.4850470 
1 1 1 20 1  11 o 4.289639       0.3453804     4.126789       0.4934046     4.446098       0.4836256 
1 1 1 20 1  12 o 4.901100       0.3324381     4.374581       0.4734052     5.413333       0.4669384 
1 1 1 20 1  13 o 3.658595       0.3242357     3.839037       0.4654955     3.488550       0.4518846 
1 1 1 20 1  14 o 2.212017       0.3176424     2.075128       0.4883341     2.312412       0.4182039 
1 1 1 20 1  15 o 1.439896       0.3355752     1.574015       0.4754638     1.306776       0.4736911 
1 1 1 20 1  16 o 0.2863448      0.3210771     0.1022757      0.4513251     0.4749636      0.4568687 
1 1 1 20 1  17 f 0.5281909      0.3143265     0.4515992      0.4426384     0.6061023      0.4464357 
1 1 1 20 1  18 o 0.5408914      0.2892261     0.7573511      0.4001874     0.3041902      0.4184804 
1 1 1 20 1  19 o -0.7495491E-01 0.3176685     0.1178059      0.4847020     -0.2200954     0.4205907 
1 1 1 20 1  20 o 0.6237550      0.4221352     0.3906168      0.6619003     0.7835957      0.5480617 
1 1 1 20 1  21 o 0.9797564E-01  0.4028666     -0.5008679E-01 0.6501212     0.1902752      0.5133005 
1 1 1 20 1  22 o -0.2141894     0.3881704     -1.348115      0.6430113     0.4359773      0.4868988 
1 1 1 20 1  23 o -0.2079034E-01 0.3633701     -0.2901888     0.6212547     0.1192965      0.4479925 
1 1 1 20 1  24 o -0.1649722     0.3270124     -0.1278502     0.5703715     -0.1831497     0.3991252 
1 1 1 20 1  25 o -0.2428730     0.3234049     -0.5941257     0.6757587     -0.1385219     0.3683243 
1 1 1 20 2  0  o 5.648324       0.6575174     5.648324       0.4649350     ?              ?         
1 1 1 20 2  1  f 4.101150       0.4474065     4.170658       0.6345429     4.032432       0.6309293 
1 1 1 20 2  2  o 4.888952       0.4544268     4.870860       0.6398625     4.907362       0.6454875 
1 1 1 20 2  3  o 0.4787967      0.4131838     0.1912664      0.5668659     0.8047077      0.6035149 
1 1 1 20 2  4  o 1.636697       0.4141418     1.747321       0.5720619     1.514870       0.6003301 
1 1 1 20 2  5  o 10.54046       0.4475706     10.73210       0.6227588     10.33573       0.6436803 
1 1 1 20 2  6  o 19.89511       0.5007406     20.21325       0.6955844     19.55290       0.7214311 
1 1 1 20 2  7  o 14.58774       0.4529936     14.67325       0.6193476     14.48937       0.6642681 
1 1 1 20 2  8  o 5.491429       0.3937324     5.454818       0.6063331     5.518123       0.5177450 
1 1 1 20 2  9  o 0.5333367E-01  0.3464856     0.3199284      0.4958443     -0.2010616     0.4843665 
1 1 1 20 2  10 o 2.614384       0.3431819     2.308985       0.5054410     2.875596       0.4674476 
1 1 1 20 2  11 o 3.626581       0.3402647     3.992729       0.4983844     3.306895       0.4656914 
1 1 1 20 2  12 o 4.375443       0.3375412     4.317966       0.4984730     4.424118       0.4587126 
1 1 1 20 2  13 o 3.112405       0.3225184     2.941759       0.4736367     3.259938       0.4403952 
1 1 1 20 2  14 o 2.644815       0.3294891     2.519840       0.5329099     2.722155       0.4192211 
1 1 1 20 2  15 f 2.770855       0.3416682     2.692878       0.4864424     2.846782       0.4800054 
1 1 1 20 2  16 f 4.477714       0.3310861     4.433392       0.4742450     4.519855       0.4624314 
1 1 1 20 2  17 o 7.769005       0.4023721     8.592952       0.5774813     6.991532       0.5609584 
1 1 1 20 2  18 o 5.856985       0.4902922     5.605230       0.7480703     6.046566       0.6491581 
1 1 1 20 2  19 o 0.7631304      0.4548927     1.176310       0.7448530     0.5173601      0.5744678 
1 1 1 20 2  20 o -0.2416453     0.4490907     -0.5671228     0.7405071     -0.5229105E-01 0.5648151 
1 1 1 20 2  21 o 0.6809722      0.4409181     1.053428       0.7473902     0.4821474      0.5460663 
1 1 1 20 2  22 o 1.585647       0.4516067     1.931534       0.7533491     1.391626       0.5642259 
1 1 1 20 2  23 o 0.7781087      0.4371576     1.000817       0.7407819     0.6591072      0.5415002 
1 1 1 20 2  24 o 0.9266807      0.4428045     0.7911081      0.7606346     0.9961795      0.5446010 
1 1 1 20 2  25 o -0.4246465     0.4654327     -1.236390      1.081561      -0.2401564     0.5156180 
1 1 1 20 3  0  o 2.229616       0.6476197     2.229616       0.4579363     ?              ?         
1 1 1 20 3  1  o 10.63053       0.4727606     11.75381       0.6593432     9.442001       0.6782256 
1 1 1 20 3  2  o 25.20704       0.5679671     26.16827       0.7871799     24.16322       0.8202966 
1 1 1 20 3  3  f 27.74429       0.5760305     27.89910       0.7956883     27.57381       0.8349925 
1 1 1 20 3  4  o 12.32951       0.4666903     12.22819       0.6467531     12.43958       0.6740952 
1 1 1 20 3  5  o 5.646435       0.4182639     4.906093       0.5768902     6.466915       0.6073104 
1 1 1 20 3  6  o 1.256297       0.4007230     1.523090       0.5563134     0.9685894      0.5777076 
1 1 1 20 3  7  o 1.648871       0.3854266     1.865201       0.5296495     1.405367       0.5619329 
1 1 1 20 3  8  o 6.573282       0.4024995     6.736181       0.5571290     6.395432       0.5821346 
1 1 1 20 3  9  o 18.06931       0.4688832     17.39600       0.6474071     18.81212       0.6799944 
1 1 1 20 3  10 o 11.50738       0.3952492     11.77116       0.5797113     11.27824       0.5403010 
1 1 1 20 3  11 o 6.278236       0.3576431     6.738834       0.5386103     5.914999       0.4783097 
1 1 1 20 3  12 o 3.700178       0.3340123     3.959061       0.5116195     3.507876       0.4409493 
1 1 1 20 3  13 o 2.055905       0.3149670     1.960282       0.4763902     2.130165       0.4198158 
1 1 1 20 3  14 o 0.9315554      0.3076975     0.9282493      0.5036259     0.9335246      0.3886747 
1 1 1 20 3  15 o 1.233707       0.3187435     1.371668       0.4670345     1.113419       0.4360968 
1 1 1 20 3  16 o 1.095747       0.2873305     0.9879650      0.4087788     1.201003       0.4039575 
1 1 1 20 3  17 o 0.3764643      0.4789970     0.6171672      0.7407051     0.2034525      0.6279755 
1 1 1 20 3  18 o -0.2410160E-01 0.4693336     -0.7162299     0.7306916     0.4619962      0.6123541 
1 1 1 20 3  19 o 0.5959914E-01  0.4760574     0.3440893      0.7652625     -0.1199966     0.6080298 
1 1 1 20 3  20 o 0.9534417      0.4792264     1.003156       0.7703019     0.9220501      0.6121049 
1 1 1 20 3  21 o 0.6275275      0.4845817     1.069950       0.7887908     0.3593369      0.6141366 
1 1 1 20 3  22 o 1.073865       0.4842601     1.212972       0.8028420     0.9943091      0.6071441 
1 1 1 20 3  23 f 0.6111804      0.4959930     0.5949090      0.8489017     0.6196142      0.6111639 
1 1 1 20 3  24 o 0.1475565      0.4680333     0.9539748      0.8300338     -0.2283739     0.5667211 
1 1 1 20 4  0  o 22.67699       0.7481645     22.67699       0.5290322     ?              ?         
1 1 1 20 4  1  o 21.41562       0.5285178     21.09476       0.7499855     21.73216       0.7449144 
1 1 1 20 4  2  f 12.99231       0.4856082     12.75095       0.6690466     13.26102       0.7059456 
1 1 1 20 4  3  o 32.45338       0.6179714     32.82109       0.8571290     32.05534       0.8917881 
1 1 1 20 4  4  o 43.69911       0.6979671     45.71311       0.9731489     41.56556       1.001615  
1 1 1 20 4  5  o 31.42222       0.5935872     31.50416       0.8295089     31.33624       0.8497762 
1 1 1 20 4  6  o 11.15031       0.4500396     12.29353       0.6337227     9.987175       0.6392171 
1 1 1 20 4  7  o 5.039382       0.4320622     5.506267       0.6272352     4.617818       0.5960159 
1 1 1 20 4  8  o 9.589884       0.4269314     10.16397       0.5982580     8.994140       0.6094416 
1 1 1 20 4  9  o 4.556447       0.3874888     4.685665       0.5418282     4.421176       0.5543707 
1 1 1 20 4  10 o 2.563717       0.3713606     3.017916       0.5295528     2.124207       0.5209200 
1 1 1 20 4  11 o 0.5442128      0.3366086     0.2036017      0.5060899     0.8144315      0.4507709 
1 1 1 20 4  12 o 0.7355046      0.3179729     0.4260174      0.4844050     0.9698232      0.4214933 
1 1 1 20 4  13 o 0.1407486      0.3168381     0.8318193      0.5362689     -0.2298434     0.3927077 
1 1 1 20 4  14 o -0.5733829E-01 0.2974429     0.2047751E-01  0.4928619     -0.1019156     0.3730337 
1 1 1 20 4  15 f 0.4975111E-01  0.2624368     0.8279735      0.4458685     -0.3627816     0.3246267 
1 1 1 20 4  16 o 0.5005130      0.3347178     0.3706361      0.5045274     0.6026158      0.4473403 
1 1 1 20 4  17 o 1.319163       0.4966140     -0.1114426     0.7601241     2.384571       0.6559677 
1 1 1 20 4  18 o 2.060143       0.5211446     1.640942       0.8243184     2.339252       0.6726227 
1 1 1 20 4  19 o 1.003704       0.5203899     0.2650850      0.8288453     1.484320       0.6685938 
1 1 1 20 4  20 o 0.1586529      0.5132165     1.476483       0.8462480     -0.6080155     0.6454635 
1 1 1 20 4  21 o 0.7953375E-02  0.5004365     -0.2054982     0.8590720     0.1175917      0.6156885 
1 1 1 20 4  22 f 0.8874472      0.4740535     -0.3036621     0.8606443     1.406214       0.5679811 
1 1 1 20 4  23 o 0.6405450E-01  0.4628386     0.2040196      0.8540614     0.5857311E-02  0.5507192 
1 1 1 20 4  24 o 0.3545874      0.4711795     -1.634553      0.8434654     1.256892       0.5680821 
1 1 1 20 5  0  o 13.39093       0.6843119     13.39093       0.4838816     ?              ?         
1 1 1 20 5  1  f 9.861648       0.4557976     10.54657       0.6469092     9.186436       0.6423056 
1 1 1 20 5  2  o 5.709141       0.4297373     5.374994       0.5985568     6.064613       0.6173600 
1 1 1 20 5  3  f 0.1812797      0.4051048     0.3691304      0.5895711     0.1326430E-01  0.5575764 
1 1 1 20 5  4  o 1.408154       0.4106772     0.7803629      0.5788389     2.044461       0.5827514 
1 1 1 20 5  5  o 4.559771       0.4196571     3.636012       0.5818108     5.561578       0.6058908 
1 1 1 20 5  6  o 8.717552       0.4392913     8.749997       0.6172907     8.684262       0.6252899 
1 1 1 20 5  7  o 7.227492       0.4217510     7.078374       0.5935425     7.379564       0.5993925 
1 1 1 20 5  8  o 5.795406       0.4021743     6.113282       0.5596869     5.456049       0.5782899 
1 1 1 20 5  9  o 3.363690       0.3820249     2.840899       0.5247157     3.953392       0.5572837 
1 1 1 20 5  10 o 2.774621       0.3644015     3.262796       0.5139738     2.281214       0.5167203 
1 1 1 20 5  11 f 5.803019       0.3863333     6.257775       0.5592880     5.388014       0.5342849 
1 1 1 20 5  12 o 11.15868       0.3824324     11.82307       0.5735577     10.62686       0.5131521 
1 1 1 20 5  13 o 15.75387       0.4203779     16.65546       0.6648129     15.15322       0.5426310 
1 1 1 20 5  14 o 10.62560       0.3630408     10.76151       0.5897239     10.54266       0.4606825 
1 1 1 20 5  15 o 2.089182       0.2594635     2.036353       0.4373833     2.117868       0.3222980 
1 1 1 20 5  16 o 0.4359123      0.5290484     0.5469454      0.8287444     0.3595412      0.6873198 
1 1 1 20 5  17 o 0.8021202      0.5264380     0.6141235      0.7971390     0.9475340      0.7010705 
1 1 1 20 5  18 o 0.8469484      0.5383879     0.1961949      0.8367287     1.306734       0.7033215 
1 1 1 20 5  19 o 2.151119       0.5413105     2.071114       0.8602090     2.203571       0.6965056 
1 1 1 20 5  20 o 1.384654       0.4926008     1.422408       0.9342370     1.370116       0.5797391 
1 1 1 20 5  21 f 0.6020676      0.4907260     -0.6160900E-01 0.8854535     0.8962809      0.5895472 
1 1 1 20 5  22 o -0.5020526E-01 0.4980910     0.4986081      0.9047425     -0.2888839     0.5966498 
1 1 1 20 5  23 o 0.4575545      0.5160174     0.7307116      0.9312383     0.3365179      0.6198876 
1 1 1 20 5  24 f 1.188897       0.5053967     1.817434       0.9347604     0.9292635      0.6007795 
1 1 1 20 6  0  f 4.729411       0.6174797     4.729411       0.4366241     ?              ?         
1 1 1 20 6  1  o 6.980708       0.4402017     6.850792       0.6176637     7.114809       0.6275320 
1 1 1 20 6  2  o 6.684453       0.4319284     6.403086       0.6161771     6.956275       0.6056373 
1 1 1 20 6  3  o 5.063905       0.4321817     4.896799       0.6057063     5.237210       0.6168402 
1 1 1 20 6  4  o 3.804813       0.4269283     3.174130       0.6204044     4.372108       0.5884016 
1 1 1 20 6  5  o 6.937972       0.4244092     7.189133       0.6096315     6.701766       0.5912032 
1 1 1 20 6  6  f 10.04112       0.4437233     10.92569       0.6317101     9.179642       0.6234112 
1 1 1 20 6  7  o 10.42209       0.4416305     10.52777       0.6162705     10.31053       0.6331928 
1 1 1 20 6  8  o 3.459868       0.4005650     3.232932       0.5652607     3.688780       0.5677161 
1 1 1 20 6  9  o 1.782556       0.3781620     1.970584       0.5301303     1.587751       0.5395990 
1 1 1 20 6  10 o -0.2280848     0.3721776     -0.3780270     0.5434399     -0.9563598E-01 0.5107564 
1 1 1 20 6  11 o 0.3413365      0.3593385     0.3951743      0.5151576     0.2903193      0.5014811 
1 1 1 20 6  12 o 1.318553       0.3476934     1.194774       0.5128168     1.423865       0.4730166 
1 1 1 20 6  13 o 0.7249058      0.3274013     0.1565920      0.5583184     1.022755       0.4041905 
1 1 1 20 6  14 o -0.1950455E-01 0.2936873     0.5832567      0.5146680     -0.3105488     0.3576301 
1 1 1 20 6  15 o 0.8324211      0.2417306     0.8994004      0.4244473     0.8002670      0.2940839 
1 1 1 20 6  16 f -0.1932205     0.5392001     -0.8602577     0.8181510     0.3189681      0.7169244 
1 1 1 20 6  17 o 0.7073877      0.4943114     1.960724       0.8092585     -0.3854022E-01 0.6243123 
1 1 1 20 6  18 o -0.6424916     0.4987438     -1.531187      0.8494701     -0.1749926     0.6161153 
1 1 1 20 6  19 o 3.524971       0.5770280     1.271148       1.022803      4.577231       0.6988660 
1 1 1 20 6  20 o 0.9589714      0.5045883     0.9484658      0.9067974     0.9636833      0.6072935 
1 1 1 20 6  21 f 1.005220       0.5304991     -0.1525409     0.9246369     1.573336       0.6477091 
1 1 1 20 6  22 o 0.8836864      0.5354950     1.063430       0.9373122     0.7965919      0.6524580 
1 1 1 20 6  23 o 0.3711164      0.5202330     0.5995566      0.9465185     0.2722358      0.6227280 
1 1 1 20 6  24 o 0.6368499E-01  0.5513771     0.7478751      0.9369664     -0.2987632     0.6819595 
1 1 1 20 7  0  o 781.0447       23.12806      781.0447       16.35401      ?              ?         
1 1 1 20 7  1  o 1.677343       0.4165330     1.677940       0.5957113     1.676773       0.5826395 
1 1 1 20 7  2  o 2.964247       0.4190891     2.856339       0.5897627     3.074318       0.5956440 
1 1 1 20 7  3  o 11.48381       0.4548523     11.11389       0.6400353     11.86128       0.6465304 
1 1 1 20 7  4  o 12.16599       0.4660732     12.53451       0.6586973     11.79650       0.6595576 
1 1 1 20 7  5  o 17.34305       0.4911166     17.43153       0.7016425     17.25806       0.6876563 
1 1 1 20 7  6  f 10.76868       0.4460503     10.90707       0.6357197     10.63448       0.6260130 
1 1 1 20 7  7  o 7.611505       0.4221278     6.930578       0.5962372     8.295831       0.5977235 
1 1 1 20 7  8  o 7.627181       0.4316576     6.531526       0.5989639     8.811152       0.6226361 
1 1 1 20 7  9  f 5.041007       0.4034455     5.274469       0.5673134     4.802126       0.5738593 
1 1 1 20 7  10 o 2.218991       0.3867255     2.133805       0.5666518     2.293262       0.5291018 
1 1 1 20 7  11 o 0.6511652      0.3695031     0.3616288      0.5452164     0.8971153      0.5025054 
1 1 1 20 7  12 o 2.340970       0.3865982     2.533369       0.6028738     2.206596       0.5038261 
1 1 1 20 7  13 o 3.925192       0.3747829     3.898775       0.5795418     3.944182       0.4913545 
1 1 1 20 7  14 o 4.127093       0.3193519     4.611121       0.5514666     3.882874       0.3917181 
1 1 1 20 7  15 o 1.411336       0.2405184     1.429797       0.4451018     1.403723       0.2858450 
1 1 1 20 7  16 o 0.1738961      0.5222502     0.1476111      0.8672787     0.1888496      0.6541479 
1 1 1 20 7  17 o 1.200173       0.5256496     -0.7380713     0.8723159     2.305252       0.6586673 
1 1 1 20 7  18 o 3.724988       0.5486308     2.294446       0.9011126     4.567610       0.6915846 
1 1 1 20 7  19 o 2.985908       0.5464743     3.883536       0.9182179     2.493589       0.6800184 
1 1 1 20 7  20 o 1.127232       0.5385473     0.5838555      0.9240923     1.406703       0.6627245 
1 1 1 20 7  21 o 1.390330       0.5437140     1.948174       0.9980900     1.154929       0.6483627 
1 1 1 20 7  22 o -0.6691356E-01 0.5549725     0.1190794      0.9752350     -0.1559911     0.6749090 
1 1 1 20 7  23 o 0.2118561      0.5646958     1.147569       0.9853792     -0.2457203     0.6890708 
1 1 1 20 8  0  o 2.776204       0.6150916     2.776204       0.4349354     ?              ?         
1 1 1 20 8  1  o 1.230011       0.4190594     1.601721       0.5936793     0.8608931      0.5916051 
1 1 1 20 8  2  o -0.2654417     0.4196733     -0.4488683     0.6055254     -0.9588712E-01 0.5821783 
1 1 1 20 8  3  o 0.4390875      0.4169686     0.5744433      0.5953555     0.3087706      0.5841689 
1 1 1 20 8  4  f 3.059713       0.4162824     3.781178       0.5988197     2.384982       0.5790998 
1 1 1 20 8  5  o 4.359548       0.4168379     4.293841       0.5957573     4.422564       0.5834316 
1 1 1 20 8  6  o 4.803480       0.4224722     5.276000       0.6135475     4.377445       0.5825861 
1 1 1 20 8  7  f 10.49960       0.4460865     10.67574       0.6397825     10.33296       0.6223037 
1 1 1 20 8  8  o 11.35161       0.4519596     11.39335       0.6417981     11.31054       0.6365686 
1 1 1 20 8  9  o 8.965725       0.4380158     8.872732       0.6311389     9.052133       0.6083834 
1 1 1 20 8  10 o 7.567877       0.4210124     7.612216       0.5937622     7.523045       0.5970544 
1 1 1 20 8  11 f 4.096886       0.3994871     3.768027       0.5711587     4.411846       0.5589590 
1 1 1 20 8  12 o 1.001732       0.3852095     1.426441       0.6188213     0.7330472      0.4921997 
1 1 1 20 8  13 f 0.2387975E-01  0.3503470     0.7872107E-02  0.5808988     0.3303123E-01  0.4392203 
1 1 1 20 8  14 f 1.460144       0.3359564     1.578090       0.5495952     1.389779       0.4245012 
1 1 1 20 8  15 o 0.5389953E-01  0.2543282     0.8427212E-01  0.4771721     0.4184762E-01  0.3005813 
1 1 1 20 8  16 o 0.2000118      0.5227209     0.7169265      0.8846756     -0.7724869E-01 0.6479159 
1 1 1 20 8  17 o 0.2613214      0.5276161     -0.3710192     0.8845110     0.6106009      0.6573766 
1 1 1 20 8  18 o 1.406478       0.5413009     1.612905       0.9042594     1.291198       0.6757487 
1 1 1 20 8  19 o 2.703109       0.5772693     1.456754       0.9681963     3.390562       0.7190588 
1 1 1 20 8  20 o 2.634051       0.5803574     2.726129       0.9955977     2.586659       0.7142623 
1 1 1 20 8  21 o 3.078278       0.5868918     1.818821       1.016047      3.708899       0.7189624 
1 1 1 20 8  22 f -0.1092626     0.5695358     -0.3163470     1.000679      -0.1004048E-01 0.6926685 
1 1 1 20 8  23 o 0.5463755      0.5733020     0.4108977      0.9919912     0.6143190      0.7025021 
1 1 1 20 9  0  o 12.12816       0.6641095     12.12816       0.4695963     ?              ?         
1 1 1 20 9  1  o 9.178608       0.4601131     9.475993       0.6522178     8.883979       0.6491891 
1 1 1 20 9  2  o 10.03390       0.4583851     10.26737       0.6451868     9.795932       0.6513661 
1 1 1 20 9  3  o 8.879410       0.4527147     8.349380       0.6514734     9.374381       0.6295593 
1 1 1 20 9  4  o 2.227996       0.4283769     1.924567       0.6126434     2.518266       0.5992128 
1 1 1 20 9  5  o 1.679395       0.4238313     1.668506       0.6127723     1.689382       0.5868440 
1 1 1 20 9  6  o 7.320813       0.4395648     7.003278       0.6277153     7.626343       0.6157348 
1 1 1 20 9  7  o 4.106943       0.4171605     3.479038       0.6087367     4.662918       0.5728092 
1 1 1 20 9  8  o 1.853633       0.4138651     1.616093       0.5980578     2.071923       0.5733135 
1 1 1 20 9  9  f 3.275282       0.4059234     3.246782       0.5978022     3.299666       0.5529433 
1 1 1 20 9  10 o 3.096390       0.4026835     2.677991       0.5754296     3.497922       0.5637120 
1 1 1 20 9  11 o 1.782906       0.3913502     1.935543       0.6489846     1.695687       0.4905818 
1 1 1 20 9  12 o 2.541967       0.3828638     2.555506       0.6261268     2.533882       0.4838660 
1 1 1 20 9  13 f 4.280393       0.3875292     3.978828       0.6187416     4.475046       0.4971080 
1 1 1 20 9  14 o 3.878636       0.3637092     4.009689       0.5893123     3.798004       0.4622489 
1 1 1 20 9  15 o 3.395642       0.3252495     3.697167       0.5355650     3.219454       0.4093910 
1 1 1 20 9  16 o 0.8894088      0.3389330     0.9245341      0.5981612     0.8727983      0.4113384 
1 1 1 20 9  17 f 0.9998917      0.5771942     0.2965590      0.9510774     1.409971       0.7262222 
1 1 1 20 9  18 o 1.356439       0.5801051     1.573453       0.9579790     1.230786       0.7289524 
1 1 1 20 9  19 o 1.148335       0.5626843     2.523502       1.015227      0.5385965      0.6760159 
1 1 1 20 9  20 o -0.5043109     0.5679178     -0.4759266     0.9987574     -0.5178738     0.6903959 
1 1 1 20 9  21 o 1.636271       0.5970079     1.211514       1.023036      1.855620       0.7351713 
1 1 1 20 9  22 o 0.9592270      0.5963926     0.4241371      1.021921      1.235603       0.7344360 
1 1 1 20 10 0  o 28.11397       0.8150185     28.11397       0.5763051     ?              ?         
1 1 1 20 10 1  o 21.47472       0.5393707     20.85010       0.7595470     22.11011       0.7660653 
1 1 1 20 10 2  o 12.74992       0.4727741     12.45930       0.6761478     13.02791       0.6613062 
1 1 1 20 10 3  o 2.969276       0.4334572     3.177885       0.6261446     2.777308       0.6006520 
1 1 1 20 10 4  o 0.4064560      0.4220411     0.5530859      0.5996290     0.2625072      0.5941215 
1 1 1 20 10 5  o 3.659164       0.4352101     3.434427       0.6195577     3.878080       0.6114819 
1 1 1 20 10 6  o 2.125833       0.4260472     2.479820       0.6126248     1.794272       0.5929025 
1 1 1 20 10 7  o -0.1495198     0.4260784     -0.6561739     0.6194123     0.3055338      0.5870233 
1 1 1 20 10 8  o 5.055112       0.4274472     5.155393       0.6170227     4.962578       0.5927131 
1 1 1 20 10 9  f 8.885582       0.4451476     9.123830       0.6500931     8.675259       0.6108091 
1 1 1 20 10 10 o 5.641402       0.3970122     5.998489       0.6004212     5.363989       0.5292158 
1 1 1 20 10 11 o 3.277973       0.4183971     3.055802       0.6610119     3.426486       0.5404384 
1 1 1 20 10 12 o 3.605858       0.4125676     3.351376       0.6700228     3.761268       0.5236026 
1 1 1 20 10 13 o 2.311272       0.3871185     2.804501       0.6339115     2.017936       0.4888628 
1 1 1 20 10 14 o 1.607275       0.3690179     1.741038       0.5904178     1.521524       0.4727267 
1 1 1 20 10 15 f 1.684189       0.3419702     1.597480       0.5795121     1.730514       0.4235816 
1 1 1 20 10 16 o 1.041740       0.2871767     0.7722729      0.4679205     1.204571       0.3637376 
1 1 1 20 10 17 o 0.6735162      0.5769497     -0.9607363     0.9614413     1.593206       0.7212468 
1 1 1 20 10 18 o -0.5141484     0.5791051     0.2578808      0.9789380     -0.9297627     0.7182632 
1 1 1 20 10 19 o 0.3647003      0.5903885     0.1645982      0.9881248     0.4757926      0.7362545 
1 1 1 20 10 20 o 1.148775       0.6206599     1.950094       1.031875      0.6945261      0.7769105 
1 1 1 20 10 21 o 0.7543235      0.6223790     1.077794       1.081994      0.5943731      0.7608524 
1 1 1 20 10 22 o 0.2973148      0.6970930     -1.674000      1.461938      0.8774177      0.7930554 
1 1 1 20 11 0  o 8.719986       0.6535856     8.719986       0.4621548     ?              ?         
1 1 1 20 11 1  o 10.80019       0.4807974     10.44192       0.6905685     11.13723       0.6698073 
1 1 1 20 11 2  f 16.92651       0.5128976     17.01555       0.7223181     16.83596       0.7284138 
1 1 1 20 11 3  o 25.07210       0.5675436     25.27160       0.8111606     24.88078       0.7943587 
1 1 1 20 11 4  o 27.15354       0.5817712     27.22462       0.8319224     27.08552       0.8138720 
1 1 1 20 11 5  o 16.21379       0.5037439     16.00157       0.7163941     16.42135       0.7084748 
1 1 1 20 11 6  o 0.4114652      0.4228237     0.6009086      0.6140757     0.2406778      0.5830557 
1 1 1 20 11 7  o 7.390790       0.4571638     7.038266       0.6664802     7.704046       0.6282652 
1 1 1 20 11 8  o 11.22862       0.4560208     11.28078       0.6816422     11.18636       0.6135418 
1 1 1 20 11 9  f 3.119303       0.4199571     3.277782       0.6313044     2.993505       0.5624580 
1 1 1 20 11 10 o -0.2287420     0.4116240     -0.6039795     0.6761636     -0.7802609E-02 0.5188420 
1 1 1 20 11 11 f -0.4701499     0.4109286     -0.8009523E-01 0.6572426     -0.7204888     0.5265349 
1 1 1 20 11 12 o 1.300736       0.4134009     1.038878       0.6785308     1.455317       0.5213314 
1 1 1 20 11 13 f 2.438007       0.4018338     2.996094       0.6587410     2.107275       0.5071102 
1 1 1 20 11 14 o 1.539576       0.3931520     1.276594       0.6547632     1.687849       0.4916471 
1 1 1 20 11 15 o 0.4519215      0.3626189     -0.4578974     0.6056332     0.9603565      0.4527411 
1 1 1 20 11 16 o 1.351760       0.3344346     1.542244       0.5546232     1.242927       0.4192247 
1 1 1 20 11 17 o 1.246346       0.2595831     0.9651679      0.4586017     1.378903       0.3148814 
1 1 1 20 11 18 o 0.9038446      0.5964511     0.9507738      0.9946640     0.8774948      0.7453200 
1 1 1 20 11 19 o 0.8034445      0.5988095     0.8136430      1.031845      0.7982658      0.7352930 
1 1 1 20 11 20 o 0.5530538E-01  0.6252744     -0.3101598     1.088689      0.2351992      0.7638162 
1 1 1 20 11 21 o 0.2121099      0.6265641     -0.2564534     1.073360      0.4543019      0.7716874 
1 1 1 20 12 0  o 11.88058       0.6963098     11.88058       0.4923654     ?              ?         
1 1 1 20 12 1  f 14.85173       0.5437248     14.80267       0.7533286     14.90508       0.7855706 
1 1 1 20 12 2  o 12.40927       0.4982541     12.39691       0.7125683     12.42110       0.6969662 
1 1 1 20 12 3  o 11.30224       0.4854348     10.89404       0.6928492     11.69582       0.6803388 
1 1 1 20 12 4  o 4.413371       0.4552169     4.186442       0.6648670     4.613624       0.6245689 
1 1 1 20 12 5  o 0.6016629      0.4378390     0.8999413      0.6279309     0.3194196      0.6108194 
1 1 1 20 12 6  o 1.824144       0.4458615     1.644372       0.6390844     1.994617       0.6223360 
1 1 1 20 12 7  o 0.5789941      0.4202653     0.9078999      0.6452761     0.3366989      0.5538374 
1 1 1 20 12 8  o 0.5398048      0.4149883     0.1601866      0.6205478     0.8469303      0.5581613 
1 1 1 20 12 9  o 4.140098       0.4230673     4.160046       0.6382697     4.124466       0.5650195 
1 1 1 20 12 10 o 1.894040       0.4399812     2.038702       0.7165529     1.806490       0.5574415 
1 1 1 20 12 11 o 0.3521757      0.4248204     0.9832962      0.6804122     -0.5102606E-01 0.5438476 
1 1 1 20 12 12 f 0.8198037      0.4346232     0.7470729      0.6939701     0.8667418      0.5574994 
1 1 1 20 12 13 o 1.467262       0.4166229     1.306041       0.6951168     1.557645       0.5204651 
1 1 1 20 12 14 o 3.594314       0.4251400     2.786645       0.6798399     4.113012       0.5448125 
1 1 1 20 12 15 o 2.519455       0.4064035     2.087215       0.6839243     2.755387       0.5052882 
1 1 1 20 12 16 o -0.2193240     0.3739565     -0.6092167     0.6120782     0.1289398E-01  0.4723701 
1 1 1 20 12 17 o 0.6767259      0.2928946     0.8721152      0.5620263     0.6038753      0.3431806 
1 1 1 20 12 18 o 0.9344612      0.2667439     0.8182901      0.6926115     0.9546930      0.2890395 
1 1 1 20 12 19 f 1.189546       0.6076834     0.2449624      1.052744      1.661561       0.7441843 
1 1 1 20 12 20 o 1.421530       0.6095241     1.922599       1.066249      1.178304       0.7428730 
1 1 1 20 13 0  o 5.942574       0.6697105     5.942574       0.4735568     ?              ?         
1 1 1 20 13 1  o 5.476609       0.4792355     5.630129       0.6978214     5.339570       0.6593005 
1 1 1 20 13 2  o 3.012433       0.4600613     3.315997       0.6615397     2.728108       0.6402331 
1 1 1 20 13 3  o 2.194871       0.4525175     1.748021       0.6582285     2.595331       0.6231261 
1 1 1 20 13 4  o 3.804233       0.4609173     4.413973       0.6611815     3.227789       0.6428751 
1 1 1 20 13 5  o 1.012858       0.4336909     1.558125       0.6493049     0.5736544      0.5827430 
1 1 1 20 13 6  o -0.1104026E-01 0.4319425     0.2972813      0.6502202     -0.2545709     0.5778769 
1 1 1 20 13 7  o 0.6648976      0.4311547     1.846526       0.6585691     -0.2214681     0.5703839 
1 1 1 20 13 8  o 1.770081       0.4385769     0.8331476      0.6535938     2.537509       0.5915238 
1 1 1 20 13 9  o 2.285819       0.4511793     3.988783       0.7345166     1.253944       0.5717580 
1 1 1 20 13 10 o 3.719378       0.4710575     3.730834       0.7479527     3.711846       0.6064383 
1 1 1 20 13 11 o 3.416781       0.4522310     3.249146       0.7468257     3.513837       0.5682602 
1 1 1 20 13 12 o 1.339265       0.4500205     1.353374       0.7137418     1.329954       0.5797872 
1 1 1 20 13 13 o 0.9224239      0.4323616     0.2635770      0.7085168     1.313342       0.5457591 
1 1 1 20 13 14 f 0.8529767      0.4367563     0.9870374      0.7258959     0.7769052      0.5468079 
1 1 1 20 13 15 o 3.913673       0.4320181     4.734035       0.7192222     3.450597       0.5403643 
1 1 1 20 13 16 o 6.597337       0.4401914     7.356191       0.7250559     6.154357       0.5539681 
1 1 1 20 13 17 o 3.871698       0.3514755     2.991479       0.6563429     4.225605       0.4161781 
1 1 1 20 13 18 o 0.5351349      0.2983025     -0.5461946     0.5860134     0.9133229      0.3465632 
1 1 1 20 13 19 f -0.2453306     0.2598076     -0.3906752     0.6803444     -0.2205164     0.2811121 
1 1 1 20 14 0  o 10.93322       0.7237826     10.93322       0.5117916     ?              ?         
1 1 1 20 14 1  o 9.268170       0.4998729     10.12485       0.7138020     8.443716       0.7002470 
1 1 1 20 14 2  o 7.838010       0.6385309     8.366132       0.9848682     7.455032       0.8386828 
1 1 1 20 14 3  o 2.628172       0.4715092     2.535412       0.6817375     2.713233       0.6528310 
1 1 1 20 14 4  o 0.8055375      0.4587847     1.616740       0.6892186     0.1600944      0.6147821 
1 1 1 20 14 5  o 7.201533       0.4789276     7.400930       0.7026708     7.028536       0.6545033 
1 1 1 20 14 6  f 11.17927       0.5039703     11.59005       0.7528149     10.84566       0.6784198 
1 1 1 20 14 7  f 11.25571       0.5007284     10.45267       0.7431175     11.92354       0.6776726 
1 1 1 20 14 8  o 4.208776       0.4900099     4.804193       0.7725098     3.807932       0.6338415 
1 1 1 20 14 9  o 1.280631       0.4615626     1.108338       0.7334855     1.393584       0.5938908 
1 1 1 20 14 10 o 0.3877714      0.4739643     0.5072667      0.7749580     0.3163630      0.5990697 
1 1 1 20 14 11 o 3.118443       0.4816760     2.413667       0.7809470     3.551179       0.6119379 
1 1 1 20 14 12 o 5.337017       0.5079851     5.998168       0.7702957     4.828201       0.6757519 
1 1 1 20 14 13 f 3.756113       0.4878997     3.140530       0.7780222     4.155099       0.6263663 
1 1 1 20 14 14 o 1.832311       0.5219770     2.068197       0.7419478     1.601148       0.7344827 
1 1 1 20 14 15 f 0.3671984      0.4517959     0.6420311      0.7454485     0.2076339      0.5680043 
1 1 1 20 14 16 o 1.550135       0.4515453     2.158892       0.7633465     1.222469       0.5600352 
1 1 1 20 14 17 o 0.6824363      0.3706556     0.6896640      0.7128931     0.6797585      0.4339173 
1 1 1 20 14 18 o 0.5344043      0.3414631     1.009081       0.6836898     0.3766491      0.3941411 
1 1 1 20 15 0  o 5.301839       0.6748083     5.301839       0.4771615     ?              ?         
1 1 1 20 15 1  o 2.329890       0.4831183     2.354873       0.6969860     2.306787       0.6702623 
1 1 1 20 15 2  o 1.095858       0.4893745     1.461345       0.6973795     0.7412725      0.6868995 
1 1 1 20 15 4  o 2.321559       0.4716681     2.538458       0.7062942     2.146968       0.6336775 
1 1 1 20 15 5  o 1.243950       0.4689071     0.8183782      0.6927336     1.603834       0.6370323 
1 1 1 20 15 6  o 3.546511       0.4761344     2.937671       0.7044775     4.058507       0.6460247 
1 1 1 20 15 7  o 8.450853       0.5047054     8.425247       0.7407647     8.473039       0.6895106 
1 1 1 20 15 8  o 10.51357       0.5373422     10.33302       0.8546063     10.63162       0.6910270 
1 1 1 20 15 9  o 9.192282       0.5295398     10.28961       0.8366535     8.458916       0.6839723 
1 1 1 20 15 10 o 6.732800       0.5309569     6.858819       0.8517916     6.652720       0.6790165 
1 1 1 20 15 11 o 5.640393       0.5203771     6.081793       0.8439197     5.369606       0.6609964 
1 1 1 20 15 12 o 4.427600       0.4999269     4.195746       0.7821047     4.587779       0.6500707 
1 1 1 20 15 13 o 0.3217478      0.4818408     -0.8343236     0.7842986     1.022630       0.6106773 
1 1 1 20 15 14 o 0.6547623      0.4749229     0.8933947      0.7693342     0.5078321      0.6036787 
1 1 1 20 15 15 o 1.163794       0.4782263     0.3922879      0.7789484     1.630502       0.6058451 
1 1 1 20 15 16 o 0.6308521      0.4695523     0.8742865      0.7461624     0.4712457      0.6041816 
1 1 1 20 15 17 f 0.1480631      0.3925883     0.1472554      0.7562533     0.1483611      0.4593289 
1 1 1 20 16 0  o 4.383851       0.7357498     4.383851       0.5202537     ?              ?         
1 1 1 20 16 1  o 3.238360       0.5058933     2.898509       0.6949817     3.621398       0.7378207 
1 1 1 20 16 2  o 4.382874       0.4975158     4.766492       0.7370671     4.061810       0.6743021 
1 1 1 20 16 3  f 3.525458       0.4896322     4.115447       0.7100669     2.990609       0.6760721 
1 1 1 20 16 4  o 2.697278       0.5018523     2.440112       0.7362087     2.920504       0.6859105 
1 1 1 20 16 5  o 5.737071       0.5060309     6.577519       0.7552527     5.052424       0.6816633 
1 1 1 20 16 6  o 7.590873       0.5166102     8.179167       0.7675928     7.103744       0.6984821 
1 1 1 20 16 7  o 8.088234       0.5419123     7.198769       0.8584009     8.677625       0.6987592 
1 1 1 20 16 8  o 2.132262       0.5082254     2.434961       0.8043449     1.931105       0.6556979 
1 1 1 20 16 9  o -0.1808772     0.5069855     0.7781026      0.7957371     -0.8361534     0.6577745 
1 1 1 20 16 10 o 3.011000       0.5174856     1.845273       0.8333484     3.742634       0.6601987 
1 1 1 20 16 11 o 3.581389       0.5173752     1.974282       0.8165743     4.659234       0.6687311 
1 1 1 20 16 12 o 2.833400       0.5271385     3.005317       0.8262889     2.715411       0.6845329 
1 1 1 20 16 13 o 2.522848       0.5123833     2.808221       0.8391635     2.353213       0.6469910 
1 1 1 20 16 14 o 0.7266360      0.4944002     1.433303       0.8177497     0.3195217      0.6206850 
1 1 1 20 16 15 o -0.1685655     0.4969821     -0.5202441     0.7959867     0.5611311E-01  0.6362293 
1 1 1 20 17 0  o 0.3720340      0.7280170     0.3720340      0.5147858     ?              ?         
1 1 1 20 17 1  f 1.231069       0.5047798     1.895672       0.7413199     0.6565455      0.6892533 
1 1 1 20 17 2  o 0.4885474      0.5115601     0.1779042      0.7482492     0.7611765      0.7009732 
1 1 1 20 17 3  o -0.3776990     0.5047181     -0.8347307     0.7467669     0.6640821E-02  0.6848091 
1 1 1 20 17 4  o 0.6020754      0.5103451     0.1004555      0.7357625     1.067189       0.7084840 
1 1 1 20 17 5  o -0.4696167     0.5038449     0.1773314      0.7447767     -1.015548      0.6841644 
1 1 1 20 17 6  o 0.8359030      0.5181131     1.385228       0.8060026     0.4490673      0.6763712 
1 1 1 20 17 7  o 1.833454       0.5313868     2.665365       0.8457553     1.290854       0.6830406 
1 1 1 20 17 8  o 3.296674       0.5437558     5.071533       0.8779141     2.192035       0.6925968 
1 1 1 20 17 9  o 3.602194       0.5376302     4.773039       0.8660032     2.867942       0.6857923 
1 1 1 20 17 10 f 2.592141       0.5431461     2.633550       0.8756573     2.566247       0.6924470 
1 1 1 20 17 11 o 1.806003       0.5332484     1.686360       0.8458189     1.884928       0.6869739 
1 1 1 20 17 12 o 0.9323037      0.5178664     0.8573870      0.8411999     0.9780254      0.6571603 
1 1 1 20 17 13 f -0.6690671E-01 0.5171541     0.2832296      0.8224634     -0.2958649     0.6650835 
1 1 1 20 17 14 o -0.1812158     0.5233178     -0.5282899     0.8557171     0.2614071E-01  0.6614211 
1 1 1 20 18 0  o 7.281808       0.7524588     7.281808       0.5320687     ?              ?         
1 1 1 20 18 1  o 4.919634       0.5294209     5.206573       0.7643747     4.655064       0.7339783 
1 1 1 20 18 2  o 3.082163       0.5237139     3.054218       0.7887318     3.104198       0.7003985 
1 1 1 20 18 3  f 3.560508       0.5417063     4.202975       0.7973555     3.009786       0.7382327 
1 1 1 20 18 4  o 6.067373       0.5454983     5.861187       0.7931476     6.252446       0.7514430 
1 1 1 20 18 5  o 8.278005       0.5506005     8.094263       0.7913960     8.450382       0.7665325 
1 1 1 20 18 6  o 8.121488       0.5847169     7.961258       0.9249313     8.228149       0.7546419 
1 1 1 20 18 7  o 5.974018       0.5602846     6.458456       0.8820810     5.646377       0.7254189 
1 1 1 20 18 8  o 1.621992       0.5423869     2.400919       0.8560758     1.099637       0.7010458 
1 1 1 20 18 9  o -0.5294700     0.5393058     0.1087149      0.8552992     -0.9506693     0.6948460 
1 1 1 20 18 10 o 0.1570490      0.5488299     0.2041024      0.8699180     0.1259364      0.7073777 
1 1 1 20 18 11 o 0.4764118      0.5380871     -0.1416707     0.8837728     0.8405057      0.6783036 
1 1 1 20 18 12 o 0.2981992      0.5476786     0.2865625      0.9001783     0.3050383      0.6901001 
1 1 1 20 19 0  o 2.735396       0.7493992     2.735396       0.5299053     ?              ?         
1 1 1 20 19 1  o 3.772083       0.5330206     2.721380       0.7506602     4.840579       0.7569897 
1 1 1 20 19 2  f 3.966373       0.5578278     4.044779       0.8100703     3.895663       0.7692841 
1 1 1 20 19 3  o 1.459102       0.5536084     0.9903549      0.8117551     1.866697       0.7569554 
1 1 1 20 19 4  o 0.3573151      0.5434989     0.4581614      0.8132978     0.2759379      0.7305850 
1 1 1 20 19 5  o 0.8206022      0.5771810     0.9218932E-01  0.9055759     1.318953       0.7490377 
1 1 1 20 19 6  o 2.800087       0.5764812     2.805844       0.9201243     2.796368       0.7396464 
1 1 1 20 19 7  o 2.013070       0.5636348     1.703421       0.9068671     2.207970       0.7194730 
1 1 1 20 19 8  o 3.606199       0.5797336     2.983207       0.9407582     3.987632       0.7361156 
1 1 1 20 19 9  o 4.882539       0.5665343     5.633391       0.9193157     4.422784       0.7193671 
1 1 1 20 20 0  o 1.141114       0.7534845     1.141114       0.5327941     ?              ?         
1 1 1 20 20 1  o 0.4584497      0.5264097     0.9018720      0.7524404     0.3336225E-01  0.7367200 
1 1 1 20 20 2  o 1.437750       0.5464202     1.896631       0.7675769     0.9662740      0.7780391 
1 1 1 20 20 3  o 1.923095       0.5575413     2.393425       0.8103982     1.500413       0.7682538 
1 1 1 20 20 4  o 3.511093       0.5968823     2.993440       0.9246113     3.880947       0.7815476 
1 1 1 20 20 5  o 2.530404       0.5982969     2.419729       0.9390288     2.606036       0.7762583 
1 1 1 20 20 6  o 3.401908       0.6212672     2.698259       1.019384      3.817709       0.7836152 
1 1 1 21 0  0  o -0.9476812     0.8495042     -0.9476812     0.6006902     ?              ?         
1 1 1 21 0  1  o 8.887682       0.6527953     8.887682       0.4615960     ?              ?         
1 1 1 21 0  2  o 13.11220       0.6787086     13.11220       0.4799194     ?              ?         
1 1 1 21 0  3  o 2.046446       0.5883572     2.046446       0.4160314     ?              ?         
1 1 1 21 0  4  o 2.531754       0.5913848     2.531754       0.4181722     ?              ?         
1 1 1 21 0  5  o 5.594362       0.5575310     5.594362       0.3942339     ?              ?         
1 1 1 21 0  6  o 3.431298       0.5318201     3.431298       0.3760536     ?              ?         
1 1 1 21 0  7  o 0.4616727E-01  0.5037926     0.4616727E-01  0.3562351     ?              ?         
1 1 1 21 0  8  f 3.885259       0.5296113     3.885259       0.3744918     ?              ?         
1 1 1 21 0  9  o 10.28149       0.5698138     10.28149       0.4029192     ?              ?         
1 1 1 21 0  10 o 11.18680       0.5738645     11.18680       0.4057834     ?              ?         
1 1 1 21 0  11 o 24.80837       0.7064492     24.80837       0.4995350     ?              ?         
1 1 1 21 0  12 o 19.40044       0.6274767     19.40044       0.4436930     ?              ?         
1 1 1 21 0  13 o 5.277953       0.4911076     5.277953       0.3472655     ?              ?         
1 1 1 21 0  14 o -0.9919810E-02 0.4453751     -0.9919810E-02 0.3149278     ?              ?         
1 1 1 21 0  15 f 0.2821339      0.5039508     0.2821339      0.3563471     ?              ?         
1 1 1 21 0  16 o -0.7924259E-01 0.4949347     -0.7924259E-01 0.3499717     ?              ?         
1 1 1 21 0  17 o 0.3808088      0.4737418     0.3808088      0.3349860     ?              ?         
1 1 1 21 0  18 o 1.099100       0.4667834     1.099100       0.3300657     ?              ?         
1 1 1 21 0  19 o 0.9716320      0.4543272     0.9716320      0.3212578     ?              ?         
1 1 1 21 0  20 o 1.338764       0.4032717     1.338764       0.2851561     ?              ?         
1 1 1 21 0  21 o 1.657991       0.3844657     1.657991       0.2718583     ?              ?         
1 1 1 21 0  22 o 1.194603       1.418298      1.194603       1.002888      ?              ?         
1 1 1 21 0  23 o 1.206326       1.418069      1.206326       1.002726      ?              ?         
1 1 1 21 1  0  o 78.29628       1.464486      78.29628       1.035548      ?              ?         
1 1 1 21 1  1  o 52.21783       0.7943629     52.13762       1.118127      52.29958       1.128746  
1 1 1 21 1  2  o 19.16969       0.5231923     19.25313       0.7414345     19.08693       0.7383862 
1 1 1 21 1  3  o 3.951175       0.4182213     3.726067       0.5810829     4.193103       0.6024016 
1 1 1 21 1  4  o 1.817343       0.3995570     2.073136       0.5433789     1.516223       0.5895599 
1 1 1 21 1  5  o 1.165292       0.3920108     0.8984803      0.5406226     1.461118       0.5692594 
1 1 1 21 1  6  o 4.165836       0.3953222     4.483034       0.5405247     3.801037       0.5796654 
1 1 1 21 1  7  o 4.915786       0.3837715     5.690949       0.5499200     4.179852       0.5358243 
1 1 1 21 1  8  o 2.823744       0.3692521     2.880890       0.5302044     2.769923       0.5145501 
1 1 1 21 1  9  o 0.4150746      0.3567668     0.2217558      0.5049782     0.6077306      0.5041118 
1 1 1 21 1  10 o 0.2625872E-01  0.3461927     0.3469972E-01  0.4967378     0.1828666E-01  0.4827429 
1 1 1 21 1  11 o 0.6423312      0.3594327     0.7021891      0.5297595     0.5912715      0.4892796 
1 1 1 21 1  12 o 1.622627       0.3323617     1.624657       0.4742832     1.620668       0.4658900 
1 1 1 21 1  13 o 3.512677       0.3388360     3.245112       0.4879364     3.761874       0.4708909 
1 1 1 21 1  14 o 3.998091       0.3348660     3.951781       0.4793639     4.042229       0.4679852 
1 1 1 21 1  15 o 1.947766       0.3588690     1.381398       0.5173890     2.472880       0.4981901 
1 1 1 21 1  16 f 0.7652265      0.3454063     0.4305978      0.4927050     1.088614       0.4843585 
1 1 1 21 1  17 o 1.761292       0.3414088     2.153339       0.4866945     1.381469       0.4790463 
1 1 1 21 1  18 o 1.000606       0.3282149     1.376542       0.4616744     0.6164438      0.4666983 
1 1 1 21 1  19 o 0.2761320      0.3105625     0.4290542      0.3971872     0.3555885E-01  0.4981768 
1 1 1 21 1  20 o 0.4702398      0.4484904     0.3068032      0.7172233     0.5751803      0.5747132 
1 1 1 21 1  21 o -0.1053769     0.4311850     0.6242267      0.6884388     -0.5763330     0.5531107 
1 1 1 21 1  22 o 0.6963832      0.4185419     0.6310069      0.6952331     0.7335458      0.5241711 
1 1 1 21 1  23 o 0.5789173      0.3858073     0.7843128      0.6629605     0.4737374      0.4744151 
1 1 1 21 2  0  o 0.4296438      0.5915837     0.4296438      0.4183128     ?              ?         
1 1 1 21 2  1  o 3.627035       0.4397719     3.854594       0.6235938     3.401887       0.6202821 
1 1 1 21 2  2  f 5.452552       0.4264103     5.333364       0.5850635     5.587599       0.6227720 
1 1 1 21 2  3  o 6.019448       0.4218666     6.246797       0.5812157     5.766311       0.6132950 
1 1 1 21 2  4  o 7.560479       0.4295339     8.097588       0.5895040     6.952586       0.6271474 
1 1 1 21 2  5  o 11.84649       0.4450952     12.49540       0.6044413     11.07779       0.6578662 
1 1 1 21 2  6  o 5.306170       0.4052928     5.603205       0.5699012     5.002219       0.5764968 
1 1 1 21 2  7  o 1.586676       0.3841263     1.290210       0.5234985     1.932489       0.5653901 
1 1 1 21 2  8  o 2.755671       0.3711392     2.598459       0.5365152     2.899937       0.5139518 
1 1 1 21 2  9  f 4.766177       0.3768262     4.618966       0.5438474     4.902116       0.5226121 
1 1 1 21 2  10 o 6.122151       0.3767590     5.568455       0.5451124     6.628565       0.5213191 
1 1 1 21 2  11 o 6.956687       0.4124693     6.670598       0.6947719     7.112402       0.5125725 
1 1 1 21 2  12 o 1.906215       0.3384419     2.193910       0.5017719     1.666086       0.4584191 
1 1 1 21 2  13 o 0.4622752      0.3257374     0.6018406      0.4849225     0.3475201      0.4397131 
1 1 1 21 2  14 o 2.566208       0.3363778     2.462350       0.5360342     2.633674       0.4320334 
1 1 1 21 2  15 o 1.876576       0.3151352     1.561330       0.5103924     2.070801       0.4006193 
1 1 1 21 2  16 o 0.2616621      0.3373535     0.2866980      0.4705657     0.2351879      0.4838933 
1 1 1 21 2  17 o 1.334655       0.3171649     1.514510       0.4484743     1.154697       0.4486036 
1 1 1 21 2  18 f 2.825282       0.3006343     2.808784       0.3684408     2.858150       0.5200356 
1 1 1 21 2  19 o 0.3062997      0.4865394     0.3554189      0.7576519     0.2718289      0.6347014 
1 1 1 21 2  20 f 1.400989       0.4899102     1.222644       0.7898215     1.512517       0.6245821 
1 1 1 21 2  21 o 0.2070844      0.4692421     0.6209309      0.7637429     -0.4386672E-01 0.5947330 
1 1 1 21 2  22 o 0.5994113      0.4532817     0.7045260      0.7462345     0.5379508      0.5706130 
1 1 1 21 2  23 o 0.9258925      0.4517160     2.158519       0.7633169     0.2615750      0.5603727 
1 1 1 21 3  0  f 7.620381       0.6393632     7.620381       0.4520981     ?              ?         
1 1 1 21 3  1  o 5.160067       0.4325089     5.962990       0.6023706     4.305631       0.6213929 
1 1 1 21 3  2  o 3.617808       0.4188833     3.147359       0.5761398     4.145349       0.6100987 
1 1 1 21 3  3  o 0.2379104      0.4104578     0.4142680      0.5699832     0.4794259E-01  0.5915684 
1 1 1 21 3  4  o 0.2993120      0.3950189     0.5665791E-01  0.5504249     0.5570152      0.5672365 
1 1 1 21 3  5  o 0.9014680      0.4047994     0.8354635      0.5631014     0.9720569      0.5823282 
1 1 1 21 3  6  o 5.435791       0.4108591     5.567543       0.5626031     5.285230       0.6014227 
1 1 1 21 3  7  f 6.538203       0.4126854     6.110309       0.5645421     7.029275       0.6047845 
1 1 1 21 3  8  o 1.936209       0.3902841     2.211518       0.5411908     1.637874       0.5633669 
1 1 1 21 3  9  o -0.4649464E-01 0.3780517     -0.2510517     0.5239806     0.1756079      0.5459900 
1 1 1 21 3  10 o 1.218237       0.3561061     0.5381109      0.5101722     1.864461       0.4972948 
1 1 1 21 3  11 o 0.4472037      0.3563324     -0.3133983     0.5054766     1.198568       0.5023978 
1 1 1 21 3  12 o 0.8106543      0.3401549     1.087113       0.5176588     0.6005752      0.4512529 
1 1 1 21 3  13 o 2.711888       0.3685508     1.542854       0.6458499     3.276388       0.4487970 
1 1 1 21 3  14 o 3.511281       0.3376534     3.701371       0.5496714     3.396083       0.4279043 
1 1 1 21 3  15 o 4.748243       0.3311366     4.422043       0.5247169     4.964136       0.4268763 
1 1 1 21 3  16 o 5.912669       0.3541792     5.761130       0.4992622     6.066194       0.5025239 
1 1 1 21 3  17 o 7.657484       0.3580648     7.300168       0.4535019     8.248957       0.5834720 
1 1 1 21 3  18 o 1.420938       0.5025934     0.7910367      0.7974391     1.836041       0.6473510 
1 1 1 21 3  19 o 0.8147767      0.5070273     -0.1921174E-01 0.8263021     1.318417       0.6421244 
1 1 1 21 3  20 o -0.1559724E-02 0.4903192     1.589154       0.8273510     -0.8626968     0.6087373 
1 1 1 21 3  21 o 0.1295873      0.5064639     -0.8537318     0.8311366     0.7103773      0.6387557 
1 1 1 21 3  22 o 1.130842       0.4936377     1.059454       0.8133600     1.172471       0.6211081 
1 1 1 21 3  23 f 0.9006252      0.5000318     0.9177318      0.8249824     0.8906912      0.6286708 
1 1 1 21 4  0  o -0.3492085     0.5721645     -0.3492085     0.4045814     ?              ?         
1 1 1 21 4  1  o 1.891285       0.4061330     1.986815       0.5731763     1.794963       0.5755485 
1 1 1 21 4  2  o 1.666321       0.4284476     1.957535       0.5869025     1.334054       0.6269069 
1 1 1 21 4  3  o 0.9549852      0.4083720     0.7942395      0.5731316     1.120756       0.5820214 
1 1 1 21 4  4  o 0.4426611      0.4079325     1.082072       0.5653156     -0.2520038     0.5892349 
1 1 1 21 4  5  o 1.087662       0.4026425     1.101226       0.5537260     1.072443       0.5865342 
1 1 1 21 4  6  o 5.291778       0.4189171     4.879876       0.5787193     5.745191       0.6071814 
1 1 1 21 4  7  o 3.555230       0.4071277     3.799874       0.5651197     3.291242       0.5870365 
1 1 1 21 4  8  o 3.611684       0.3945633     3.998310       0.5453050     3.186847       0.5716179 
1 1 1 21 4  9  o 2.314897       0.3828659     1.726748       0.5322070     2.945776       0.5512006 
1 1 1 21 4  10 o 0.8587183      0.3722988     1.316208       0.5267152     0.4019405      0.5263050 
1 1 1 21 4  11 o 4.380690       0.3687324     4.565795       0.5627276     4.241410       0.4881260 
1 1 1 21 4  12 f 5.310575       0.3592613     5.782363       0.5496502     4.958685       0.4746957 
1 1 1 21 4  13 o 4.429884       0.3394814     4.243005       0.5176199     4.570944       0.4497094 
1 1 1 21 4  14 o 0.9842393      0.3346962     1.827675       0.5654584     0.5293853      0.4152509 
1 1 1 21 4  15 o 1.562702       0.3041282     1.309562       0.5049568     1.706798       0.3809790 
1 1 1 21 4  16 o 1.801025       0.3044187     2.332750       0.4418461     1.320559       0.4200097 
1 1 1 21 4  17 o 3.424640       0.5297319     3.338713       0.7893070     3.495064       0.7145651 
1 1 1 21 4  18 o 3.942992       0.5410973     4.745072       0.8256060     3.339046       0.7164128 
1 1 1 21 4  19 o 3.172691       0.5440666     2.852818       0.8607948     3.385487       0.7020881 
1 1 1 21 4  20 o 2.672496       0.5499229     2.194392       0.8869263     2.971090       0.7009171 
1 1 1 21 4  21 o 1.300523       0.8923441     1.194625       0.9925401     1.747020       2.038041  
1 1 1 21 4  22 o 0.5410392      0.5407150     -0.3118243     0.8872190     1.045004       0.6820106 
1 1 1 21 4  23 o 0.4346334      0.5886476     1.259001       1.067718      0.7465474E-01  0.7055605 
1 1 1 21 5  0  o 9.371996       0.6288174     9.371996       0.4446410     ?              ?         
1 1 1 21 5  1  o 8.628831       0.4411297     8.856628       0.6303851     8.410238       0.6175172 
1 1 1 21 5  2  o 2.094762       0.4066276     1.993158       0.5713925     2.199016       0.5787954 
1 1 1 21 5  3  o 1.089623       0.3997490     1.542163       0.5671467     0.6428334      0.5635317 
1 1 1 21 5  4  o 5.053731       0.4271352     5.583154       0.5979354     4.502047       0.6103777 
1 1 1 21 5  5  o 10.31263       0.4531946     10.37098       0.6389275     10.25355       0.6429192 
1 1 1 21 5  6  o 2.946603       0.4101588     3.222984       0.5859084     2.681003       0.5743679 
1 1 1 21 5  7  o 0.5915123      0.3974621     0.5090609      0.5587652     0.6759595      0.5654877 
1 1 1 21 5  8  o 2.081922       0.3941163     2.183010       0.5557419     1.979645       0.5590016 
1 1 1 21 5  9  o 1.729566       0.3892507     1.863943       0.5545755     1.599083       0.5464809 
1 1 1 21 5  10 o 6.641255       0.4046535     6.355287       0.5754598     6.920963       0.5691259 
1 1 1 21 5  11 o 9.624390       0.4207922     9.416021       0.6001875     9.825826       0.5901203 
1 1 1 21 5  12 o 7.827776       0.3760979     8.152271       0.5701070     7.577741       0.5004418 
1 1 1 21 5  13 o 3.787474       0.3573685     3.317716       0.5950173     4.052543       0.4469631 
1 1 1 21 5  14 o 1.366830       0.3214468     0.4613977      0.5408437     1.861356       0.3997043 
1 1 1 21 5  15 o 1.628833       0.2887686     1.784250       0.4916393     1.546975       0.3568011 
1 1 1 21 5  16 o 0.4383090      0.2908745     0.4717839      0.3635772     0.3787836      0.4848284 
1 1 1 21 5  17 o 1.310010       0.5359359     0.8455982      0.8062353     1.677695       0.7173783 
1 1 1 21 5  18 o 3.067878       0.5692236     2.852402       0.8610195     3.235171       0.7586674 
1 1 1 21 5  19 o 4.319821       0.5753492     4.833351       0.8917806     3.953653       0.7530355 
1 1 1 21 5  20 o 2.905760       0.5676475     2.434276       0.9219304     3.193640       0.7203943 
1 1 1 21 5  21 o 0.8549975      0.5545830     1.762022       0.9216412     0.3401665      0.6943601 
1 1 1 21 5  22 o 0.6858281      0.5618028     0.8008646      0.9138478     0.6159372      0.7123066 
1 1 1 21 6  0  o 17.76606       0.6992229     17.76606       0.4944253     ?              ?         
1 1 1 21 6  1  o 14.74997       0.4826466     14.13719       0.6709431     15.40713       0.6948133 
1 1 1 21 6  2  o 11.57123       0.4570279     11.28161       0.6419853     11.86883       0.6507744 
1 1 1 21 6  3  f 6.518461       0.4207295     6.680584       0.6129299     6.374010       0.5785592 
1 1 1 21 6  4  o 2.067756       0.4052065     1.508271       0.5726619     2.628755       0.5734361 
1 1 1 21 6  5  f 3.185821       0.4079223     3.284645       0.5790192     3.088438       0.5747827 
1 1 1 21 6  6  o 9.277931       0.4547970     8.820589       0.6443886     9.731858       0.6419783 
1 1 1 21 6  7  o 11.32399       0.4533642     12.30806       0.6420821     10.34559       0.6402295 
1 1 1 21 6  8  o 5.875133       0.4139705     5.882999       0.5735431     5.866578       0.5981151 
1 1 1 21 6  9  o 3.718374       0.4042220     4.410353       0.5667835     3.002078       0.5766568 
1 1 1 21 6  10 o 2.422462       0.3902131     2.404701       0.5499142     2.440474       0.5537956 
1 1 1 21 6  11 o 2.022363       0.3890424     1.909491       0.5622141     2.126069       0.5389041 
1 1 1 21 6  12 o 1.840839       0.3680525     2.528685       0.5460433     1.268147       0.4982443 
1 1 1 21 6  13 o 1.135681       0.3449098     0.3909295      0.5840935     1.534407       0.4273793 
1 1 1 21 6  14 f 0.6083564      0.3218914     0.3730693E-01  0.5576297     0.8937314      0.3942004 
1 1 1 21 6  15 o 2.958602       0.2965499     2.854709       0.4987210     3.015428       0.3688403 
1 1 1 21 6  16 o 4.621616       0.5722608     4.307723       0.8721328     4.858944       0.7583433 
1 1 1 21 6  17 o 4.951241       0.5798470     5.478285       0.8999282     4.577115       0.7582166 
1 1 1 21 6  18 o 2.324100       0.5736321     2.645912       0.9002244     2.104107       0.7443097 
1 1 1 21 6  19 o 2.090150       0.5746755     1.915859       0.9157709     2.203371       0.7380969 
1 1 1 21 6  20 o 2.931398       0.5413134     2.285947       0.9563786     3.235642       0.6566125 
1 1 1 21 6  21 o 1.168501       0.5466923     1.750301       0.9598904     0.8891771      0.6651030 
1 1 1 21 6  22 o 1.496114       0.5390959     2.860506       0.9417199     0.8310390      0.6574873 
1 1 1 21 7  0  o 0.9404663      0.5891575     0.9404663      0.4165972     ?              ?         
1 1 1 21 7  1  o 3.657368       0.4145657     4.082896       0.5788947     3.209396       0.5939648 
1 1 1 21 7  2  o 4.797015       0.4264517     4.812236       0.6029521     4.781780       0.6032355 
1 1 1 21 7  3  o 7.121635       0.4378844     7.119461       0.6170113     7.123841       0.6215376 
1 1 1 21 7  4  o 1.895317       0.4120642     2.371146       0.5885563     1.437822       0.5771059 
1 1 1 21 7  5  o 1.167549       0.4043185     1.226128       0.5828822     1.113226       0.5613128 
1 1 1 21 7  6  o 4.197875       0.4115905     4.667328       0.5871018     3.744156       0.5771790 
1 1 1 21 7  7  o 2.352038       0.3997516     2.225819       0.5780041     2.467766       0.5534625 
1 1 1 21 7  8  o 1.647573       0.4067350     1.745034       0.5666884     1.544020       0.5841283 
1 1 1 21 7  9  f 2.201975       0.4029579     2.283117       0.5745504     2.123424       0.5652993 
1 1 1 21 7  10 o 5.166737       0.4225574     5.255192       0.6056045     5.082815       0.5898785 
1 1 1 21 7  11 o 5.783469       0.4093360     5.698648       0.5867998     5.863865       0.5712887 
1 1 1 21 7  12 o 5.744157       0.3930491     6.833828       0.5701103     4.757042       0.5426189 
1 1 1 21 7  13 o 5.392884       0.3969843     5.285240       0.6236687     5.466206       0.5147275 
1 1 1 21 7  14 o 5.902980       0.3575834     5.759645       0.5960981     5.983553       0.4469262 
1 1 1 21 7  15 o 4.218913       0.3083044     4.215233       0.5330333     4.220763       0.3779370 
1 1 1 21 7  16 o 3.034542       0.5749851     3.790346       0.9090137     2.530456       0.7423666 
1 1 1 21 7  17 o 1.133297       0.5857047     1.062229       0.9028983     1.184931       0.7696014 
1 1 1 21 7  18 f 2.991697       0.5465546     3.169711       0.9338752     2.898959       0.6740518 
1 1 1 21 7  19 o 7.305705       0.5926230     7.210421       1.001658      7.357020       0.7350813 
1 1 1 21 7  20 o 12.73403       0.6585985     11.83770       1.099779      13.23520       0.8223600 
1 1 1 21 7  21 f 4.816677       0.5792673     4.536416       0.9966323     4.959657       0.7118552 
1 1 1 21 7  22 o 2.388491       0.6907782     2.187916       1.304788      2.466603       0.8142502 
1 1 1 21 8  0  o 15.68367       0.6847358     15.68367       0.4841813     ?              ?         
1 1 1 21 8  1  o 17.68358       0.5007865     17.80668       0.7136164     17.56413       0.7029423 
1 1 1 21 8  2  o 13.58299       0.4695959     13.66935       0.6691586     13.49919       0.6591718 
1 1 1 21 8  3  o 12.61774       0.4671445     12.34439       0.6689190     12.87797       0.6526650 
1 1 1 21 8  4  o 8.558149       0.4499551     8.890163       0.6506413     8.253816       0.6229282 
1 1 1 21 8  5  o 5.944344       0.4362983     5.293257       0.6286465     6.549394       0.6060138 
1 1 1 21 8  6  o 7.016181       0.4381066     7.296390       0.6235236     6.742956       0.6157030 
1 1 1 21 8  7  o 4.021704       0.4179589     3.704648       0.5943513     4.331881       0.5878682 
1 1 1 21 8  8  o 3.642592       0.4144209     3.562304       0.5890402     3.721286       0.5831634 
1 1 1 21 8  9  x 0.000000       0.000000      ?              ?             312.5602       13.57114  
1 1 1 21 8  10 o 0.5746120      0.3970377     0.9704649      0.5655987     0.1900394      0.5574816 
1 1 1 21 8  11 f 0.2963413      0.3949133     0.2516694      0.5845719     0.3338445      0.5356171 
1 1 1 21 8  12 o 2.037763       0.4082451     2.563255       0.6461950     1.688702       0.5266607 
1 1 1 21 8  13 o 1.956859       0.3952427     1.922162       0.6272870     1.979703       0.5089871 
1 1 1 21 8  14 o 1.737556       0.3708463     1.407699       0.5923752     1.950153       0.4755680 
1 1 1 21 8  15 f 1.215674       0.2939757     0.6908165      0.5297945     1.449171       0.3533676 
1 1 1 21 8  16 o 0.2137686      0.3307102     -0.3961636     0.5800633     0.5075006      0.4025412 
1 1 1 21 8  17 o 1.216814       0.5390384     1.744625       0.9087856     0.9303316      0.6695310 
1 1 1 21 8  18 o 2.788733       0.5807359     2.478866       0.9584874     2.968465       0.7299803 
1 1 1 21 8  19 o 3.927874       0.5993442     3.228306       1.003114      4.316258       0.7474226 
1 1 1 21 8  20 o 1.616287       0.5908027     1.668174       1.030161      1.590856       0.7211931 
1 1 1 21 8  21 o 1.434464       0.5830079     0.9909785      1.010000      1.656074       0.7139649 
1 1 1 21 9  0  o 1.483580       0.5976015     1.483580       0.4225681     ?              ?         
1 1 1 21 9  1  o 0.6581421      0.4197738     0.4709730      0.5974600     0.8406117      0.5899115 
1 1 1 21 9  2  o 1.201867       0.4193658     1.551111       0.5869938     0.8377716      0.5993447 
1 1 1 21 9  3  o 1.143803       0.4232933     1.560798       0.6049913     0.7439050      0.5924597 
1 1 1 21 9  4  o 1.277781       0.4291523     1.050636       0.6170914     1.490535       0.5972223 
1 1 1 21 9  5  o 2.160567       0.4282246     1.259264       0.6154665     3.006310       0.5961952 
1 1 1 21 9  6  o 3.242529       0.4214287     3.287562       0.5985565     3.198260       0.5934565 
1 1 1 21 9  7  o 1.482733       0.4170000     1.354452       0.6019461     1.601101       0.5782231 
1 1 1 21 9  8  f -0.4412069     0.4117896     -0.4255258     0.5823454     -0.4568894     0.5823714 
1 1 1 21 9  9  o 0.2099992      0.4144465     -0.1759994     0.5951359     0.5734522      0.5774940 
1 1 1 21 9  10 f 0.3499659      0.4113034     -0.2149634E-01 0.5903251     0.7004166      0.5733864 
1 1 1 21 9  11 f 0.5644120      0.3943436     0.4340995      0.5735383     0.6812510      0.5430794 
1 1 1 21 9  12 o 1.576499       0.4175325     1.670264       0.6595587     1.513793       0.5393694 
1 1 1 21 9  13 o 0.9439015      0.3978239     0.1053563      0.6459718     1.456270       0.5049419 
1 1 1 21 9  14 f 0.7364221      0.3692793     2.291980       0.6073280     -0.1760309     0.4651419 
1 1 1 21 9  15 o 0.4050970      0.3373711     1.427394       0.5791154     -0.1200859     0.4150800 
1 1 1 21 9  16 o 0.6545852      0.3253979     0.2536616      0.4542677     1.077090       0.4663337 
1 1 1 21 9  17 o 1.132787       0.5764798     0.6951122      0.9575504     1.381605       0.7219815 
1 1 1 21 9  18 o 1.950903       0.5949426     1.116776       0.9605126     2.470127       0.7578167 
1 1 1 21 9  19 o 0.5902656      0.5751714     0.9417212      1.019753      0.4262924      0.6965406 
1 1 1 21 9  20 o 0.3688274      0.6012236     0.8465023      1.046105      0.1332247      0.7346815 
1 1 1 21 10 0  o 5.543118       0.6256618     5.543118       0.4424097     ?              ?         
1 1 1 21 10 1  o 5.241685       0.4491432     5.654300       0.6389099     4.838556       0.6315233 
1 1 1 21 10 2  o 2.596217       0.4401804     2.350889       0.6123895     2.858459       0.6331476 
1 1 1 21 10 3  o 0.5781971      0.4272308     0.6888134      0.6193601     0.4777879      0.5900931 
1 1 1 21 10 4  o 2.860740       0.4343918     3.071924       0.6259562     2.664558       0.6033148 
1 1 1 21 10 5  f 2.111526       0.5415507     1.799132       0.8011674     2.374349       0.7348585 
1 1 1 21 10 6  o 2.025849       0.4311164     1.931138       0.6079210     2.121671       0.6114758 
1 1 1 21 10 7  f 0.8774342      0.4244924     0.7404315      0.6041621     1.011009       0.5965561 
1 1 1 21 10 8  o 4.456675       0.4390226     4.827885       0.6484659     4.142549       0.5965247 
1 1 1 21 10 9  f 7.478929       0.4499068     7.593835       0.6414617     7.367672       0.6311913 
1 1 1 21 10 10 o 4.097517       0.4241931     4.036075       0.6032724     4.157604       0.5965827 
1 1 1 21 10 11 o 1.733714       0.4454126     1.774957       0.6875573     1.703889       0.5846888 
1 1 1 21 10 12 o 0.5826075      0.4158966     1.273953       0.6662923     0.1413052      0.5323352 
1 1 1 21 10 13 o 0.1105541      0.3947284     0.4150765      0.6326281     -0.8357959E-01 0.5051138 
1 1 1 21 10 14 o 0.7303697      0.3845506     0.8159595      0.6284249     0.6791351      0.4862105 
1 1 1 21 10 15 o 0.6883792      0.3540529     1.015910       0.6184933     0.5287359      0.4318015 
1 1 1 21 10 16 o 0.8031538      0.3092944     0.9875548      0.5284197     0.7070548      0.3814669 
1 1 1 21 10 17 o 0.4289223      0.5845782     1.498698       1.003870      -0.1199724     0.7190772 
1 1 1 21 10 18 o 0.2140310      0.6243649     0.8330784      1.010764      -0.1679241     0.7939517 
1 1 1 21 10 19 o 2.442724       0.6094722     2.603006       1.026505      2.355458       0.7574279 
1 1 1 21 10 20 o 0.5419480      0.6320390     0.3050923      1.041129      0.6801816      0.7953701 
1 1 1 21 11 0  o 7.466525       0.6636010     7.466525       0.4692368     ?              ?         
1 1 1 21 11 1  o 5.398968       0.4583191     4.590858       0.6453781     6.221169       0.6509803 
1 1 1 21 11 2  o 6.265425       0.4586608     6.661257       0.6597454     5.895156       0.6380855 
1 1 1 21 11 3  o 6.981379       0.4629953     7.215763       0.6597593     6.753946       0.6499005 
1 1 1 21 11 4  o 7.146106       0.4691825     7.450373       0.6541323     6.823716       0.6733328 
1 1 1 21 11 5  o 4.470928       0.4549174     4.173781       0.6514987     4.753660       0.6355003 
1 1 1 21 11 6  o 2.855174       0.4408869     3.564604       0.6387487     2.209632       0.6093092 
1 1 1 21 11 7  o 1.231668       0.4443465     1.130969       0.6451822     1.322532       0.6128645 
1 1 1 21 11 8  o 1.328893       0.4373723     1.976375       0.6403841     0.7627987      0.5987850 
1 1 1 21 11 9  o 1.719727       0.4364765     1.820253       0.6130093     1.616356       0.6216229 
1 1 1 21 11 10 o 1.011543       0.4066323     1.076900       0.6198131     0.9621552      0.5387915 
1 1 1 21 11 11 o 2.269733       0.4373243     2.484768       0.7145693     2.140956       0.5529806 
1 1 1 21 11 12 f 3.802000       0.4398495     4.107594       0.7000718     3.602689       0.5653756 
1 1 1 21 11 13 o 3.489711       0.4324024     3.568436       0.7137282     3.444060       0.5434995 
1 1 1 21 11 14 o 0.9834447      0.4121818     0.7113662      0.6691071     1.149833       0.5232511 
1 1 1 21 11 15 o 0.4518326      0.3844683     0.7433597      0.6528195     0.2970233      0.4757208 
1 1 1 21 11 16 f 1.740557       0.3492506     1.629600       0.5937059     1.799271       0.4318799 
1 1 1 21 11 17 f 2.538876       0.2846357     2.295339       0.4865499     2.665588       0.3509569 
1 1 1 21 11 18 f 2.883505       0.6128906     2.112787       1.054962      3.276160       0.7529995 
1 1 1 21 11 19 o 3.423711       0.6466432     4.646764       1.082435      2.745007       0.8063428 
1 1 1 21 12 0  o 1.702419       0.6358901     1.702419       0.4496422     ?              ?         
1 1 1 21 12 1  o 0.9191447      0.4470092     1.163313       0.6274334     0.6674672      0.6370084 
1 1 1 21 12 2  o 1.680676       0.4536758     1.586961       0.6553507     1.766915       0.6286697 
1 1 1 21 12 3  o 1.152102       0.4526727     0.7889605      0.6456035     1.503283       0.6348830 
1 1 1 21 12 4  o 2.071515       0.4547168     1.804864       0.6437783     2.336991       0.6423575 
1 1 1 21 12 5  o 2.583795       0.4519875     2.824325       0.6534778     2.363187       0.6258318 
1 1 1 21 12 6  f 2.216042       0.4531542     2.002663       0.6557683     2.411058       0.6269185 
1 1 1 21 12 7  o 1.371260       0.4497980     1.542045       0.6459429     1.210493       0.6267137 
1 1 1 21 12 8  o 0.6467105      0.4569283     -0.1716105     0.6774814     1.329579       0.6188765 
1 1 1 21 12 9  o 3.017344       0.4343361     2.688150       0.6485167     3.285108       0.5848874 
1 1 1 21 12 10 o 4.529928       0.4657573     4.826004       0.7417622     4.337214       0.5984375 
1 1 1 21 12 11 o 3.459008       0.4790102     3.310620       0.8227931     3.535086       0.5891429 
1 1 1 21 12 12 f -0.4483032E-03 0.4450628     -0.4541306     0.7280901     0.2702039      0.5623608 
1 1 1 21 12 13 o 2.416290       0.4503439     3.007861       0.7288988     2.051048       0.5727361 
1 1 1 21 12 14 o 4.823678       0.4364969     3.863568       0.7222543     5.376131       0.5478699 
1 1 1 21 12 15 o 3.161433       0.4215106     3.951970       0.6962408     2.704041       0.5295929 
1 1 1 21 12 16 o 3.125483       0.3942738     3.881819       0.6383916     2.659091       0.5013090 
1 1 1 21 12 17 o 1.185851       0.2985647     1.268574       0.5807199     1.156129       0.3480939 
1 1 1 21 12 18 o 0.5501977      0.2542972     1.699829       1.045778      0.4779485      0.2621661 
1 1 1 21 13 0  o 1.713859       0.6696905     1.713859       0.4735427     ?              ?         
1 1 1 21 13 1  o 4.099433       0.4743575     4.457494       0.6670085     3.733019       0.6747440 
1 1 1 21 13 2  f 3.260539       0.4739173     3.714392       0.6849675     2.843771       0.6563864 
1 1 1 21 13 3  o 0.8550904      0.4592866     -0.1770825     0.6430724     1.929785       0.6561847 
1 1 1 21 13 4  o -0.5392059     0.4628497     -0.3778566     0.6616417     -0.6938354     0.6477171 
1 1 1 21 13 5  o 0.9343343      0.4596981     1.051700       0.6509634     0.8175807      0.6492625 
1 1 1 21 13 6  o 0.5249122      0.4594179     -0.9201734E-02 0.6549548     1.042270       0.6445992 
1 1 1 21 13 7  o -0.5844169     0.4324373     -0.5825604     0.6454110     -0.5859293     0.5825292 
1 1 1 21 13 8  f 0.7619081      0.4422002     0.4562037      0.6582618     1.013321       0.5969544 
1 1 1 21 13 9  o 0.8194911      0.4647123     1.138555       0.7462499     0.6173853      0.5939296 
1 1 1 21 13 10 o 3.713438       0.4869774     4.990801       0.7748276     2.879424       0.6260868 
1 1 1 21 13 11 o 8.692760       0.5014220     8.878959       0.8260971     8.584143       0.6309423 
1 1 1 21 13 12 o 10.14037       0.5142932     9.971243       0.8124912     10.25344       0.6643193 
1 1 1 21 13 13 o 2.835093       0.4757103     2.299284       0.7819013     3.149981       0.5994114 
1 1 1 21 13 14 o 0.1698415      0.4390466     1.136960       0.7494185     -0.3355550     0.5417521 
1 1 1 21 13 15 o 0.5617545      0.4332472     0.6704623      0.7159263     0.4989411      0.5442074 
1 1 1 21 13 16 o 0.9460478      0.4147671     1.087038       0.6759416     0.8609030      0.5252834 
1 1 1 21 13 17 o 1.487415       0.3379373     1.508382       0.6541024     1.479781       0.3946939 
1 1 1 21 14 0  o 2.623442       0.6923066     2.623442       0.4895347     ?              ?         
1 1 1 21 14 1  o 1.218661       0.4809444     1.602962       0.6872687     0.8498624      0.6732638 
1 1 1 21 14 2  f 1.183228       0.4804523     1.074950       0.6831325     1.289210       0.6758503 
1 1 1 21 14 3  o 2.348724       0.4869496     2.571681       0.6968902     2.136008       0.6806968 
1 1 1 21 14 4  o 3.002669       0.4912579     2.984499       0.7014658     3.020157       0.6882110 
1 1 1 21 14 5  o 1.331940       0.4871878     1.434816       0.6949790     1.232537       0.6831486 
1 1 1 21 14 6  o 0.4405159      0.4640243     1.331858       0.6766750     -0.3506867     0.6375317 
1 1 1 21 14 7  o 1.250541       0.4618983     0.5868342      0.6828488     1.810382       0.6271459 
1 1 1 21 14 8  f 0.1618655      0.4626565     -0.1142740     0.6839974     0.3947560      0.6281540 
1 1 1 21 14 9  o 1.115265       0.4883507     1.676183       0.7617720     0.7239034      0.6363035 
1 1 1 21 14 10 o 1.326915       0.5079170     0.6840528      0.7965963     1.767307       0.6593240 
1 1 1 21 14 11 f 0.2521953      0.4812900     0.6204669      0.7737084     0.1974282E-01  0.6146958 
1 1 1 21 14 12 o 0.5848228      0.4776640     -0.8044929E-01 0.7746254     0.9929913      0.6067529 
1 1 1 21 14 13 o 1.005611       0.4888043     0.9355361      0.8080379     1.046053       0.6138594 
1 1 1 21 14 14 o 0.1158277      0.4696713     0.2956864      0.7620617     0.5663745E-02  0.5964091 
1 1 1 21 14 15 o 1.334464       0.4545373     1.051455       0.7787027     1.480724       0.5598016 
1 1 1 21 14 16 o 0.4031392      0.4393275     0.6413631      0.7230901     0.2637450      0.5531235 
1 1 1 21 15 0  o 0.5064113      0.7156081     0.5064113      0.5060113     ?              ?         
1 1 1 21 15 1  o 1.276984       0.6145440     1.373229       0.8771947     1.184213       0.8612183 
1 1 1 21 15 2  o 0.6692947      0.5422747     0.7849575      0.7727677     0.5570837      0.7611488 
1 1 1 21 15 3  f 2.394359       0.5731973     3.492583       0.8287424     1.387191       0.7936431 
1 1 1 21 15 4  o 4.978012       0.5187694     5.017052       0.7416220     4.940605       0.7259311 
1 1 1 21 15 5  o 5.537761       0.5016458     5.964803       0.7566370     5.202825       0.6700899 
1 1 1 21 15 6  o 4.047149       0.5032066     3.705666       0.7494859     4.327426       0.6790058 
1 1 1 21 15 7  o 3.547508       0.4948530     3.967091       0.7419741     3.211343       0.6641339 
1 1 1 21 15 8  o 3.232634       0.5195546     3.707357       0.8211520     2.915720       0.6709251 
1 1 1 21 15 9  o 0.6784134      0.5152332     0.8892052      0.8448269     0.5535819      0.6501343 
1 1 1 21 15 10 f -0.6118453     0.5130332     0.4895549      0.8237485     -1.309777      0.6557351 
1 1 1 21 15 11 o 0.5336332      0.5088338     0.3061658      0.8142836     0.6793579      0.6517522 
1 1 1 21 15 12 o -0.1368069     0.5129648     0.3489837      0.8004869     -0.4752914     0.6681887 
1 1 1 21 15 13 o -0.3853937E-01 0.4882748     -0.7634825     0.7924042     0.4052058      0.6199571 
1 1 1 21 15 14 o 0.3871864      0.4815398     -0.1738020     0.7860199     0.7242339      0.6092592 
1 1 1 21 16 0  f 2.361255       0.7530007     2.361255       0.5324519     ?              ?         
1 1 1 21 16 1  o 0.3303815      0.5079290     -0.5477841     0.7025801     1.291900       0.7351678 
1 1 1 21 16 2  o 0.8188366      0.5207682     0.3373741      0.7151114     1.362470       0.7598806 
1 1 1 21 16 3  o 0.7816988      0.5042571     1.556861       0.7437027     0.1220861      0.6860372 
1 1 1 21 16 4  o 0.9312989      0.5077361     0.7108316      0.7391113     1.128310       0.6986873 
1 1 1 21 16 5  o 0.4952125      0.5044303     0.5070672      0.7556785     0.4856850      0.6774585 
1 1 1 21 16 6  o 1.185224       0.4973688     0.6276075      0.7290580     1.670674       0.6802474 
1 1 1 21 16 7  o -0.8469633     0.4887860     -0.8107352     0.7215618     -0.8776843     0.6644591 
1 1 1 21 16 8  f -0.4081238     0.5290070     -0.6336420     0.8294045     -0.2534641     0.6868533 
1 1 1 21 16 9  o 0.1432716      0.5277771     0.5922434      0.8410011     -0.1484253     0.6778803 
1 1 1 21 16 10 o 1.045474       0.5385832     1.609848       0.8345550     0.6426558      0.7050591 
1 1 1 21 16 11 o -0.6193631     0.5301312     -0.5157437     0.8348230     -0.6893842     0.6862595 
1 1 1 21 16 12 o -0.4223416E-01 0.5170053     -0.2373862     0.8487540     0.7289352E-01  0.6519063 
1 1 1 21 16 13 o 0.5175751      0.5193085     1.491634       0.8625823     -0.3618519E-01 0.6503824 
1 1 1 21 17 0  o 1.076656       0.7805691     1.076656       0.5519457     ?              ?         
1 1 1 21 17 1  o 1.351269       0.5371913     1.497752       0.7554951     1.201476       0.7639824 
1 1 1 21 17 2  o 1.591844       0.5237368     0.4782750      0.7701509     2.549879       0.7143447 
1 1 1 21 17 3  o 3.957166       0.5367967     3.830503       0.7791975     4.071582       0.7405652 
1 1 1 21 17 4  o 3.776440       0.5317215     4.349655       0.7902427     3.302231       0.7187648 
1 1 1 21 17 5  o 5.042655       0.5487390     5.240067       0.8201225     4.882640       0.7383683 
1 1 1 21 17 6  o 4.220586       0.5289751     4.478502       0.7850832     4.006144       0.7158662 
1 1 1 21 17 7  f 2.338091       0.5411928     1.611286       0.8548945     2.824153       0.6991169 
1 1 1 21 17 8  o 1.609683       0.5482911     1.483262       0.8543035     1.698229       0.7149701 
1 1 1 21 17 9  o 3.322751       0.5512146     3.836331       0.8468797     2.945254       0.7260629 
1 1 1 21 17 10 o 4.148752       0.5679678     4.024889       0.8908446     4.233582       0.7372376 
1 1 1 21 17 11 f 1.940976       0.5639492     1.595770       0.8822317     2.179495       0.7333393 
1 1 1 21 18 0  o 1.718766       0.8083258     1.718766       0.5715727     ?              ?         
1 1 1 21 18 1  o 0.3821521      0.5389867     0.3418507      0.7725227     0.4203773      0.7523615 
1 1 1 21 18 2  o 0.7943658      0.5258728     0.1423868E-02  0.7872162     1.433360       0.7066786 
1 1 1 21 18 3  o 1.476620       0.5355531     1.741546       0.8098180     1.270690       0.7139763 
1 1 1 21 18 4  f 2.341970       0.5427306     2.111727       0.8008072     2.537565       0.7380962 
1 1 1 21 18 5  o 3.316521       0.5373846     4.147658       0.8011799     2.636791       0.7245396 
1 1 1 21 18 6  o 4.455622       0.5760188     4.592920       0.8995286     4.360190       0.7499482 
1 1 1 21 18 7  o 8.162855       0.5920256     9.004405       0.9406552     7.610847       0.7618386 
1 1 1 21 18 8  o 7.909176       0.5869507     8.643229       0.9239969     7.412594       0.7599811 
1 1 1 21 19 0  o 3.017390       0.7833133     3.017390       0.5538862     ?              ?         
1 1 1 21 19 1  o 1.803188       0.5703353     1.652569       0.8350132     1.934904       0.7808593 
1 1 1 21 19 2  o 0.4830353      0.5486966     1.313746       0.8307785     -0.1596901     0.7307569 
1 1 1 21 19 3  o 0.7305697      0.5461705     0.9132636      0.8326146     0.5925808      0.7236090 
1 1 1 21 19 4  o 2.763538       0.5653650     3.409200       0.8355885     2.218388       0.7677997 
1 1 1 22 0  0  o 2.047365       0.8245549     2.047365       0.5830483     ?              ?         
1 1 1 22 0  1  o -0.4302832     0.5738991     -0.4302832     0.4058080     ?              ?         
1 1 1 22 0  2  o 4.144667       0.6121258     4.144667       0.4328383     ?              ?         
1 1 1 22 0  3  o 8.439808       0.6301603     8.439808       0.4455906     ?              ?         
1 1 1 22 0  4  f 1.043461       0.5901226     1.043461       0.4172797     ?              ?         
1 1 1 22 0  5  o 1.986114       0.5306552     1.986114       0.3752299     ?              ?         
1 1 1 22 0  6  o 3.982966       0.5438905     3.982966       0.3845887     ?              ?         
1 1 1 22 0  7  o 3.122844       0.5486750     3.122844       0.3879718     ?              ?         
1 1 1 22 0  8  o 2.484011       0.5306460     2.484011       0.3752234     ?              ?         
1 1 1 22 0  9  o 5.464104       0.5481377     5.464104       0.3875919     ?              ?         
1 1 1 22 0  10 f 13.08978       0.6208581     13.08978       0.4390129     ?              ?         
1 1 1 22 0  11 o 12.59433       0.6022502     12.59433       0.4258552     ?              ?         
1 1 1 22 0  12 o 4.974917       0.6888449     4.974917       0.4870869     ?              ?         
1 1 1 22 0  13 o -0.9119532     0.4753902     -0.9119532     0.3361516     ?              ?         
1 1 1 22 0  14 o -0.5512234     0.4695345     -0.5512234     0.3320110     ?              ?         
1 1 1 22 0  15 f -0.2827820     0.5408445     -0.2827820     0.3824348     ?              ?         
1 1 1 22 0  16 o 293.6300       9.080958      293.6300       6.421207      ?              ?         
1 1 1 22 0  17 o 0.5927084      0.5116661     0.5927084      0.3618025     ?              ?         
1 1 1 22 0  18 o 0.4146719      0.4974006     0.4146719      0.3517153     ?              ?         
1 1 1 22 0  19 o 0.5551069E-01  0.4691008     0.5551069E-01  0.3317043     ?              ?         
1 1 1 22 0  20 o 0.5635296E-01  0.4413199     0.5635296E-01  0.3120603     ?              ?         
1 1 1 22 0  21 o 0.2458049      0.3715669     0.2458049      0.2627375     ?              ?         
1 1 1 22 1  0  o 1.996118       0.5921429     1.996118       0.4187082     ?              ?         
1 1 1 22 1  1  o 6.144349       0.4355173     7.187243       0.6185648     5.119139       0.6132978 
1 1 1 22 1  2  o 9.935687       0.4626327     10.18360       0.6382324     9.661202       0.6715620 
1 1 1 22 1  3  o 3.157233       0.4203786     3.375238       0.5735722     2.904221       0.6179112 
1 1 1 22 1  4  o 0.4994268      0.3874618     0.9223295      0.5291194     0.1045118E-01  0.5689539 
1 1 1 22 1  5  o 0.7967821      0.3917901     1.003173       0.5373373     0.5625107      0.5724807 
1 1 1 22 1  6  o 2.426880       0.3931276     2.242382       0.5372649     2.639507       0.5767673 
1 1 1 22 1  7  f 4.016127       0.3898886     4.016017       0.5612216     4.016230       0.5420495 
1 1 1 22 1  8  o 1.678519       0.3823674     1.970508       0.5400064     1.384917       0.5414950 
1 1 1 22 1  9  o 0.5295427      0.3715867     1.008199       0.5338948     0.7984072E-01  0.5174949 
1 1 1 22 1  10 o 0.4271672      0.3734503     0.5019162      0.5297874     0.3533417      0.5265048 
1 1 1 22 1  11 o 0.7439806      0.3540221     1.055927       0.5102260     0.4543731      0.4916180 
1 1 1 22 1  12 o -0.4672275     0.3520171     -0.9004610     0.5005468     -0.4328240E-01 0.4951519 
1 1 1 22 1  13 o 0.3919460      0.3430836     0.3316926E-01  0.4894398     0.7385362      0.4810556 
1 1 1 22 1  14 o 1.955001       0.3362572     2.034827       0.4914768     1.884751       0.4610584 
1 1 1 22 1  15 o 1.801637       0.3380940     2.232840       0.5369580     1.518389       0.4351938 
1 1 1 22 1  16 o 1.504003       0.3862646     1.031861       0.5663986     1.914497       0.5281283 
1 1 1 22 1  17 o 0.8188500      0.3582882     1.149709       0.5093988     0.4949209      0.5040358 
1 1 1 22 1  18 o -0.1436251     0.3484025     -0.1573851     0.4992557     -0.1305632     0.4864259 
1 1 1 22 1  19 o -0.1132792     0.3192776     -0.7629537E-01 0.4378144     -0.1552887     0.4666138 
1 1 1 22 1  20 o -0.1718671     0.3851520     0.1158926      0.7552784     -0.2729961     0.4477440 
1 1 1 22 1  21 o 0.1346414      0.4482923     0.1769746      0.7384840     0.1099384      0.5641252 
1 1 1 22 2  0  o 3.051717       0.5939373     3.051717       0.4199771     ?              ?         
1 1 1 22 2  1  o 1.122472       0.4157407     1.310214       0.6000360     0.9491336      0.5765589 
1 1 1 22 2  2  o 0.5649083      0.3924030     1.185503       0.5517374     -0.7031536E-01 0.5582024 
1 1 1 22 2  3  o 1.128263       0.3958648     0.8455600      0.5518937     1.427850       0.5681343 
1 1 1 22 2  4  o 0.8039392      0.3990196     0.6816421      0.5507041     0.9391049      0.5789531 
1 1 1 22 2  5  o -0.1930168     0.3921598     0.1811667      0.5393595     -0.6126906     0.5712050 
1 1 1 22 2  6  o 0.6974891      0.4007951     0.7588916      0.5615720     0.6337410      0.5721970 
1 1 1 22 2  7  o 2.775874       0.4048468     2.126978       0.5563066     3.506452       0.5902824 
1 1 1 22 2  8  f 2.756446       0.3832607     3.346237       0.5522035     2.208270       0.5323657 
1 1 1 22 2  9  o 4.058420       0.3936478     3.927104       0.5640154     4.183139       0.5496659 
1 1 1 22 2  10 o 2.922969       0.3805050     3.141249       0.5641077     2.740746       0.5154136 
1 1 1 22 2  11 o 2.783632       0.3692947     2.468827       0.5400683     3.060090       0.5061075 
1 1 1 22 2  12 o 0.3996889      0.3558721     0.3198300      0.5199825     0.4700517      0.4880885 
1 1 1 22 2  13 o 0.8751161      0.3431445     0.9483101      0.5048378     0.8122593      0.4678316 
1 1 1 22 2  14 o 0.6300837      0.3325753     0.6215743      0.4937268     0.6371518      0.4499768 
1 1 1 22 2  15 o 0.3275171      0.3363403     0.7483076      0.5339875     0.5079090E-01  0.4330353 
1 1 1 22 2  16 o 0.6974640      0.3663713     1.042765       0.5201247     0.3574167      0.5161526 
1 1 1 22 2  17 o 0.8883865      0.3485950     1.260764       0.4980685     0.5308255      0.4880594 
1 1 1 22 2  18 o 0.3757076      0.3144328     0.5334172      0.4374135     0.2070725      0.4523108 
1 1 1 22 2  19 o 0.2561955      0.5129446     -0.6338214E-01 0.7695669     0.5116783      0.6880802 
1 1 1 22 2  20 o 0.3333089      0.4986105     0.1693839      0.7929856     0.4404954      0.6412284 
1 1 1 22 2  21 o 1.054168       0.5024135     0.4538956      0.7818357     1.476410       0.6557248 
1 1 1 22 3  0  o 6.192234       0.6166519     6.192234       0.4360387     ?              ?         
1 1 1 22 3  1  o 6.554588       0.4347009     6.209281       0.5987554     6.939450       0.6321207 
1 1 1 22 3  2  f 10.12332       0.4493345     9.723076       0.6224436     10.55886       0.6493179 
1 1 1 22 3  3  o 9.800844       0.4468397     10.35868       0.6168557     9.184956       0.6481592 
1 1 1 22 3  4  o 12.15589       0.4608630     12.27606       0.6387939     12.02544       0.6655463 
1 1 1 22 3  5  o 8.656497       0.4347219     9.268765       0.5995541     7.977782       0.6312490 
1 1 1 22 3  6  o 7.554214       0.4321365     7.781916       0.5889926     7.288735       0.6359747 
1 1 1 22 3  7  f 9.926600       0.4478229     10.07872       0.6113316     9.750443       0.6578592 
1 1 1 22 3  8  o 14.81680       0.4792168     15.67264       0.6648727     13.89150       0.6913310 
1 1 1 22 3  9  o 13.78845       0.4500121     13.73299       0.6535676     13.83845       0.6205424 
1 1 1 22 3  10 o 10.32080       0.4220636     10.26492       0.6085511     10.37259       0.5858710 
1 1 1 22 3  11 o 4.918866       0.3771740     4.656240       0.5588108     5.138625       0.5111758 
1 1 1 22 3  12 o 2.431648       0.3559124     2.164154       0.5388288     2.638687       0.4740441 
1 1 1 22 3  13 o 0.7888919      0.3523663     1.168738       0.5297646     0.4875123      0.4718849 
1 1 1 22 3  14 o 2.235338       0.3512049     2.652869       0.5648118     1.972134       0.4484407 
1 1 1 22 3  15 o 0.3173464E-01  0.3317152     -0.5288260     0.5396855     0.3720911      0.4205295 
1 1 1 22 3  16 o 0.6608950E-01  0.3593167     0.2418953      0.5089248     -0.1086504     0.5073797 
1 1 1 22 3  17 o 0.9219398      0.3215481     0.7689365      0.4603902     1.067653       0.4492883 
1 1 1 22 3  18 o 0.8175138      0.5282983     0.5946911      0.8286924     0.9700769      0.6857067 
1 1 1 22 3  19 o 0.2363378      0.5280282     0.1407044      0.8196393     0.3041858      0.6903774 
1 1 1 22 3  20 f 1.502780       0.5317285     1.245098       0.8623231     1.660864       0.6754181 
1 1 1 22 3  21 o 3.412883       0.5447506     4.668138       0.8612788     2.575892       0.7032959 
1 1 1 22 4  0  o -0.8642474E-01 0.5436860     -0.8642474E-01 0.3844441     ?              ?         
1 1 1 22 4  1  o 1.033857       0.3926476     1.069841       0.5667226     1.000639       0.5445180 
1 1 1 22 4  2  o 3.531927       0.4185235     3.674614       0.5781947     3.374882       0.6065888 
1 1 1 22 4  3  o 6.281567       0.4316975     6.645201       0.6079015     5.911618       0.6131575 
1 1 1 22 4  4  o 1.601825       0.4073562     1.597519       0.5699362     1.606322       0.5824449 
1 1 1 22 4  5  o 0.6360889      0.3984413     1.031453       0.5512140     0.2034612      0.5766056 
1 1 1 22 4  6  o 8.830174       0.4352086     9.009289       0.6001109     8.631462       0.6320892 
1 1 1 22 4  7  o 14.36314       0.4751501     14.37784       0.6512430     14.34642       0.6947969 
1 1 1 22 4  8  o 16.20624       0.4897568     16.02372       0.6761169     16.40774       0.7103951 
1 1 1 22 4  9  f 5.987443       0.4233524     5.893215       0.5890482     6.088117       0.6088648 
1 1 1 22 4  10 f 2.160416       0.3901194     2.080490       0.5498651     2.241424       0.5535778 
1 1 1 22 4  11 o 3.346709       0.3761031     3.348892       0.5693563     3.345019       0.5009636 
1 1 1 22 4  12 o 5.713489       0.3813925     6.232329       0.5788182     5.315375       0.5070248 
1 1 1 22 4  13 o 4.561196       0.3636597     4.865342       0.5623404     4.342568       0.4767723 
1 1 1 22 4  14 o 1.734701       0.3532450     1.705901       0.5852435     1.751207       0.4430529 
1 1 1 22 4  15 o 1.919947       0.3354958     2.670071       0.5642897     1.509815       0.4172511 
1 1 1 22 4  16 o 1.343015       0.3465185     2.213429       0.5030504     0.5570968      0.4780101 
1 1 1 22 4  17 o 0.9773139      0.3648251     1.018298       0.5557085     0.9462700      0.4836464 
1 1 1 22 4  18 o 1.181030       0.5471176     0.3632586      0.8581163     1.741157       0.7101879 
1 1 1 22 4  19 o 1.702231       0.5639526     1.946511       0.8799596     1.531962       0.7346604 
1 1 1 22 4  20 o 1.886781       0.5476772     1.291987       0.8878137     2.252177       0.6958565 
1 1 1 22 4  21 f 0.7626471      0.5431053     0.9660324      0.8735603     0.6345002      0.6934052 
1 1 1 22 5  0  o 3.918478       0.5855183     3.918478       0.4140240     ?              ?         
1 1 1 22 5  1  o 3.175646       0.4004710     3.916497       0.5666926     2.436575       0.5660111 
1 1 1 22 5  2  o 1.444039       0.4000618     1.282987       0.5675404     1.603102       0.5640215 
1 1 1 22 5  3  o 0.9117050      0.3993725     0.3616225      0.5743781     1.426559       0.5556817 
1 1 1 22 5  4  o 2.624195       0.4190188     2.158682       0.5891535     3.100704       0.5960712 
1 1 1 22 5  5  o 3.401577       0.4144811     3.052936       0.5623472     3.816245       0.6132900 
1 1 1 22 5  6  o 0.5888418      0.4139528     0.1212652      0.5635784     1.136637       0.6100101 
1 1 1 22 5  7  o -0.4033530     0.4039133     -0.4854341     0.5630288     -0.3163154     0.5797787 
1 1 1 22 5  8  o 2.682735       0.4100742     2.696031       0.5737810     2.668853       0.5862862 
1 1 1 22 5  9  o 2.517929       0.4070915     2.578809       0.5574275     2.448349       0.5959277 
1 1 1 22 5  10 o 2.803531       0.4085582     3.152246       0.5829658     2.466934       0.5727468 
1 1 1 22 5  11 o 3.285891       0.3961792     3.346502       0.5781058     3.232218       0.5440114 
1 1 1 22 5  12 f 2.791594       0.3738286     2.805496       0.5707704     2.781150       0.4946992 
1 1 1 22 5  13 o 2.819905       0.3548397     2.801987       0.5447319     2.833112       0.4676743 
1 1 1 22 5  14 o 2.777462       0.3593515     2.694101       0.6172125     2.820211       0.4419884 
1 1 1 22 5  15 o 1.631712       0.3248872     1.382274       0.5591633     1.758834       0.3991800 
1 1 1 22 5  16 f 0.7445107      0.2707394     -0.1336289     0.4658085     1.192510       0.3327087 
1 1 1 22 5  17 o 2.218900       0.5648094     2.891504       0.8648370     1.718666       0.7458324 
1 1 1 22 5  18 o 1.777956       0.5718224     2.498384       0.8653555     1.219555       0.7618542 
1 1 1 22 5  19 o 1.536498       0.5773369     1.367884       0.8811541     1.663332       0.7642285 
1 1 1 22 5  20 o 2.854465       0.5737187     3.475489       0.9175729     2.455835       0.7351419 
1 1 1 22 6  0  o 0.7689919      0.5639263     0.7689919      0.3987561     ?              ?         
1 1 1 22 6  1  o 1.941842       0.4038271     1.617386       0.5618511     2.288572       0.5808164 
1 1 1 22 6  2  o 4.724938       0.4215501     4.787212       0.6054503     4.666343       0.5872882 
1 1 1 22 6  3  o 4.780585       0.4217811     5.089421       0.5957844     4.470286       0.5971953 
1 1 1 22 6  4  o 1.616430       0.4072902     1.376743       0.5798603     1.849831       0.5722066 
1 1 1 22 6  5  o 1.850094       0.4083908     1.467938       0.5828194     2.218739       0.5724245 
1 1 1 22 6  6  o 3.577272       0.4281703     3.127522       0.5904999     4.075895       0.6217570 
1 1 1 22 6  7  f 6.609487       0.4445977     6.322876       0.6237397     6.905508       0.6338956 
1 1 1 22 6  8  f 6.840808       0.4452262     6.477684       0.6268069     7.210584       0.6325219 
1 1 1 22 6  9  o 1.601712       0.4248407     1.937900       0.6175452     1.299638       0.5853757 
1 1 1 22 6  10 o 1.223671       0.3941518     1.516437       0.5726920     0.9601852      0.5432984 
1 1 1 22 6  11 f 3.463708       0.4060824     3.698532       0.5818482     3.240705       0.5670136 
1 1 1 22 6  12 o 1.171141       0.3824579     1.698974       0.5598060     0.7091170      0.5237471 
1 1 1 22 6  13 f 0.3661095      0.3673116     -0.2503537     0.6322005     0.6802506      0.4512982 
1 1 1 22 6  14 o 0.7589412      0.3420311     0.7831751      0.5935130     0.7468912      0.4185143 
1 1 1 22 6  15 f 0.7380245      0.3180496     0.1846366      0.5427783     1.027388       0.3924911 
1 1 1 22 6  16 o 0.4495709      0.3416282     0.8437454      0.4382397     -0.1610145     0.5454320 
1 1 1 22 6  17 f 0.7589116      0.5758262     0.2618702      0.9054921     1.096395       0.7461306 
1 1 1 22 6  18 o 0.2095883      0.5809401     0.3920304      0.8942443     0.7636654E-01  0.7641547 
1 1 1 22 6  19 f -0.3611061E-01 0.5956994     -0.5129434     0.9235234     0.3036382      0.7795498 
1 1 1 22 6  20 o 0.1405418      0.5788712     0.4305217E-01  0.9290981     0.2023975      0.7400695 
1 1 1 22 7  0  o -0.7814127     0.5788400     -0.7814127     0.4093017     ?              ?         
1 1 1 22 7  1  o 0.2130236      0.4061906     0.5383160      0.5799032     -0.1002933     0.5691289 
1 1 1 22 7  2  o 1.022695       0.4116685     0.7794101      0.5850973     1.261199       0.5793201 
1 1 1 22 7  3  o 4.838417       0.4217680     5.898214       0.6047952     3.835029       0.5884793 
1 1 1 22 7  4  o 6.535905       0.4324400     6.588521       0.6237724     6.487216       0.6000426 
1 1 1 22 7  5  o 6.817611       0.4349267     7.566999       0.6143497     6.064653       0.6158115 
1 1 1 22 7  6  f 3.007485       0.4136252     3.269478       0.5823143     2.740686       0.5876309 
1 1 1 22 7  7  o 0.2180282      0.4075050     0.4797154      0.5829102     -0.3211483E-01 0.5699079 
1 1 1 22 7  8  o 1.333161       0.4192441     1.574477       0.5983852     1.100494       0.5875642 
1 1 1 22 7  9  o 0.3634712      0.4054688     -0.5322258     0.5874902     1.178217       0.5603136 
1 1 1 22 7  10 o 0.4973018      0.4107582     0.7302342      0.5966743     0.2874709      0.5663138 
1 1 1 22 7  11 o 1.897336       0.4023415     1.623391       0.5777239     2.155331       0.5606535 
1 1 1 22 7  12 o 3.828575       0.4078883     3.931286       0.5978216     3.739116       0.5579252 
1 1 1 22 7  13 o 2.911952       0.4099184     3.358934       0.6435785     2.606834       0.5317286 
1 1 1 22 7  14 o 1.591149       0.3618259     1.768879       0.6264130     1.502161       0.4432464 
1 1 1 22 7  15 o 0.3367957E-01  0.3135712     0.5726631      0.5560064     -0.2177080     0.3797204 
1 1 1 22 7  16 o 1.021655       0.3400722     1.467006       0.4439829     0.3894798      0.5289734 
1 1 1 22 7  17 o 2.084653       0.6032534     2.140839       0.9440876     2.045883       0.7842373 
1 1 1 22 7  18 o 2.243246       0.6037952     2.857863       0.9569291     1.836691       0.7782813 
1 1 1 22 7  19 o 0.8258787      0.5981923     1.299772       0.9418020     0.5054157      0.7744763 
1 1 1 22 7  20 o 1.706813       0.6553789     2.337753       1.288333      1.486536       0.7612346 
1 1 1 22 8  0  o 0.9593348      0.5752711     0.9593348      0.4067781     ?              ?         
1 1 1 22 8  1  o 2.300584       0.4543391     3.134488       0.6891435     1.659462       0.6042573 
1 1 1 22 8  2  o 4.804165       0.4374609     6.522802       0.6404546     3.301041       0.5989546 
1 1 1 22 8  3  o 9.759195       0.4771939     11.66468       0.7206250     8.271107       0.6368256 
1 1 1 22 8  4  o 6.476418       0.4327720     7.745697       0.6199852     5.270240       0.6043774 
1 1 1 22 8  5  o 1.142156       0.4164852     0.8113250      0.5893967     1.472096       0.5886019 
1 1 1 22 8  6  o 0.6294803      0.4125555     0.8366143      0.5823750     0.4208218      0.5845143 
1 1 1 22 8  7  o 2.658255       0.4200274     2.806304       0.5993420     2.515361       0.5888149 
1 1 1 22 8  8  f 3.759869       0.4296921     4.467031       0.6196086     3.104674       0.5964081 
1 1 1 22 8  9  o 3.249522       0.4282877     2.856307       0.6211165     3.605961       0.5913593 
1 1 1 22 8  10 o 2.465133       0.4238909     2.093456       0.6220285     2.787395       0.5792043 
1 1 1 22 8  11 o 0.7428700      0.4159951     0.8740320      0.6073718     0.6269752      0.5709298 
1 1 1 22 8  12 o 0.1186915      0.4215419     -0.1064175     0.6720732     0.2646897      0.5412451 
1 1 1 22 8  13 o 0.4124906      0.4140552     0.6047103      0.6725817     0.2951834      0.5254224 
1 1 1 22 8  14 f 2.146875       0.3945789     2.845254       0.6354981     1.708729       0.5033588 
1 1 1 22 8  15 o 2.321559       0.3336772     2.292059       0.6035200     2.334547       0.4004491 
1 1 1 22 8  16 o 1.833430       0.3562767     1.695305       0.4891711     1.989475       0.5199379 
1 1 1 22 8  17 o 3.254437       0.6215518     3.125276       0.9692164     3.344660       0.8100547 
1 1 1 22 8  18 f 3.182270       0.5824974     4.885054       0.9972829     2.300556       0.7176328 
1 1 1 22 8  19 o 0.7120485      0.5705015     0.4234467      0.9892534     0.8558620      0.6983253 
1 1 1 22 9  0  o 16.01640       0.7091600     16.01640       0.5014518     ?              ?         
1 1 1 22 9  1  o 11.35557       0.4773644     11.69918       0.6861930     11.03332       0.6645188 
1 1 1 22 9  2  o 9.782174       0.4617774     10.32984       0.6640845     9.269453       0.6425515 
1 1 1 22 9  3  o 2.766517       0.4323012     2.124984       0.6181112     3.380792       0.6048373 
1 1 1 22 9  4  o 1.766600       0.4216464     1.868050       0.6098400     1.673685       0.5836201 
1 1 1 22 9  5  o 3.454397       0.4350097     3.600281       0.6183943     3.311492       0.6120481 
1 1 1 22 9  6  o 2.986550       0.4332215     2.814833       0.6118291     3.159212       0.6135097 
1 1 1 22 9  7  o 0.6896597E-01  0.4268912     -0.4578992     0.6040444     0.5946848      0.6033869 
1 1 1 22 9  8  o 1.684599       0.4350703     1.607908       0.6144012     1.761733       0.6161673 
1 1 1 22 9  9  f 1.633529       0.4334250     1.281525       0.6163660     1.977848       0.6096010 
1 1 1 22 9  10 o 2.827901       0.4337103     2.615092       0.6291932     3.020559       0.5986629 
1 1 1 22 9  11 o 1.712513       0.4197860     2.021749       0.6275950     1.462147       0.5647066 
1 1 1 22 9  12 o 3.935779       0.4468862     4.307284       0.7174564     3.700275       0.5712314 
1 1 1 22 9  13 o 3.467663       0.4382365     4.810486       0.7020920     2.610547       0.5609246 
1 1 1 22 9  14 f 1.676313       0.4045860     2.592738       0.6355193     1.051781       0.5246355 
1 1 1 22 9  15 o 1.315351       0.3642777     1.115373       0.6083047     1.427163       0.4548535 
1 1 1 22 9  16 o 0.8570378      0.2736573     1.343491       0.5198083     0.6705179      0.3218736 
1 1 1 22 9  17 o 0.4696461      0.5919862     -0.2723557E-01 1.000196      0.7375626      0.7344438 
1 1 1 22 9  18 o 0.6927130      0.5872445     1.320046       0.9913111     0.3535385      0.7289076 
1 1 1 22 10 0  o 4.025517       0.6320510     4.025517       0.4469275     ?              ?         
1 1 1 22 10 1  o 3.696562       0.4500003     3.502074       0.6317725     3.896849       0.6411237 
1 1 1 22 10 2  o 6.241527       0.4649648     7.492537       0.6689645     5.072336       0.6467186 
1 1 1 22 10 3  o 6.052070       0.4553267     6.442006       0.6516072     5.679987       0.6365163 
1 1 1 22 10 4  f 2.924330       0.4393594     2.116881       0.6295374     3.691089       0.6134700 
1 1 1 22 10 5  o -0.3171131     0.4263172     -0.7050289     0.6170904     0.3707320E-01  0.5896522 
1 1 1 22 10 6  o 1.311145       0.4407223     1.575714       0.6338318     1.063495       0.6132295 
1 1 1 22 10 7  o 3.680600       0.4509402     3.800785       0.6479766     3.567730       0.6279464 
1 1 1 22 10 8  o 4.720911       0.4598714     5.427991       0.6531123     4.025640       0.6476350 
1 1 1 22 10 9  o 2.227500       0.4516076     2.445452       0.6596193     2.035193       0.6195971 
1 1 1 22 10 10 o 0.4023761      0.4352586     0.8552385      0.6372335     0.6308178E-02  0.5959369 
1 1 1 22 10 11 o 1.528495       0.4575876     2.437402       0.7250752     0.9269018      0.5898954 
1 1 1 22 10 12 o 2.256497       0.4541234     2.268075       0.7247672     2.249013       0.5826887 
1 1 1 22 10 13 o 2.756958       0.4443715     3.186292       0.7071644     2.476804       0.5712432 
1 1 1 22 10 14 f 1.956750       0.4044228     2.271596       0.6898046     1.791844       0.4992234 
1 1 1 22 10 15 o 0.4386213      0.3768094     0.6214171      0.6425400     0.3428037      0.4651998 
1 1 1 22 10 16 o 0.2726014      0.3268858     0.2308816      0.5754644     0.2924759      0.3971871 
1 1 1 22 10 17 o 0.5647042      0.6020225     0.4650456      1.006874      0.6201561      0.7510625 
1 1 1 22 10 18 o 2.041663       0.7196707     2.471996       1.468126      1.905550       0.8256779 
1 1 1 22 11 0  f 0.2555924      0.6407139     0.2555924      0.4530531     ?              ?         
1 1 1 22 11 1  o 1.606318       0.4670493     2.769099       0.6496148     0.3621397      0.6719671 
1 1 1 22 11 2  o 2.484388       0.4553603     1.979746       0.6419684     2.995395       0.6460040 
1 1 1 22 11 3  o 2.353657       0.4784244     1.966033       0.7012697     2.691151       0.6543528 
1 1 1 22 11 4  o 0.8090135      0.4517260     0.3122100      0.6475363     1.279989       0.6304792 
1 1 1 22 11 5  o 3.583258       0.4538401     2.896230       0.6450664     4.256656       0.6386356 
1 1 1 22 11 6  f 5.146146       0.4688071     4.893722       0.6678418     5.391370       0.6582490 
1 1 1 22 11 7  o 4.863086       0.4665962     5.135187       0.6661195     4.600967       0.6537868 
1 1 1 22 11 8  o 3.156300       0.4655223     2.868371       0.6566388     3.447247       0.6600705 
1 1 1 22 11 9  o 6.912437       0.4874207     7.798041       0.7205021     6.165127       0.6618595 
1 1 1 22 11 10 o 8.682972       0.4793046     8.918474       0.6965441     8.471172       0.6605642 
1 1 1 22 11 11 o 5.236170       0.4954804     4.657409       0.7770535     5.632714       0.6432016 
1 1 1 22 11 12 o 2.405034       0.4517859     3.065368       0.7426534     2.017089       0.5692319 
1 1 1 22 11 13 o 1.055697       0.4464751     1.341831       0.7216023     0.8782135      0.5683196 
1 1 1 22 11 14 o 0.6267554      0.4133727     0.4720467      0.6949067     0.7114817      0.5142546 
1 1 1 22 11 15 o 0.4494662      0.3909561     0.2991380      0.6905696     0.5203747      0.4742816 
1 1 1 22 11 16 f 0.8893153      0.3603704     1.336524       0.6125410     0.6525919      0.4456567 
1 1 1 22 11 17 o 0.2570531      0.2842418     -0.2643466     0.5014489     0.5038962      0.3450259 
1 1 1 22 12 0  o 2.742130       0.6730285     2.742130       0.4759030     ?              ?         
1 1 1 22 12 1  f 1.380592       0.4724195     1.506230       0.6774120     1.261632       0.6591657 
1 1 1 22 12 2  o 0.8710337      0.4670517     0.4735528      0.6684505     1.250175       0.6528475 
1 1 1 22 12 3  f 0.8281725      0.4702834     1.200679       0.6812801     0.4891025      0.6499854 
1 1 1 22 12 4  o 2.517379       0.4712692     1.666357       0.6737429     3.332646       0.6594378 
1 1 1 22 12 5  o 2.819086       0.4714463     3.566972       0.6673924     2.074181       0.6660610 
1 1 1 22 12 6  o 0.5922224      0.4691367     0.3218846      0.6646447     0.8606405      0.6622807 
1 1 1 22 12 7  o 1.952694       0.4779784     2.028245       0.6919922     1.883758       0.6609995 
1 1 1 22 12 8  o 6.194258       0.4900824     5.894334       0.7043206     6.475773       0.6823632 
1 1 1 22 12 9  o 4.037062       0.4856192     3.947613       0.6981669     4.120900       0.6759123 
1 1 1 22 12 10 o 1.526563       0.4967327     1.456594       0.7725325     1.575881       0.6485841 
1 1 1 22 12 11 o -0.3256219E-02 0.4778133     -0.5743862E-01 0.8203285     0.2456477E-01  0.5878209 
1 1 1 22 12 12 o 1.932645       0.4661029     2.101259       0.7780662     1.838267       0.5821124 
1 1 1 22 12 13 o 2.885291       0.4659217     3.219173       0.7704765     2.692807       0.5850062 
1 1 1 22 12 14 o 2.008092       0.4518613     1.685557       0.7387216     2.200915       0.5711771 
1 1 1 22 12 15 o 1.702514       0.4264867     1.312056       0.7148654     1.918290       0.5314206 
1 1 1 22 12 16 o 0.9142287      0.4319829     1.804990       0.8409361     0.5949132      0.5034918 
1 1 1 22 13 0  o 0.7710111      0.6854290     0.7710111      0.4846715     ?              ?         
1 1 1 22 13 1  o -0.2168968     0.4810941     -0.2024064     0.6895343     -0.2306416     0.6715612 
1 1 1 22 13 2  o 0.6890303      0.5124112     -0.3238429E-01 0.7185990     1.435303       0.7308748 
1 1 1 22 13 3  o 0.7651303      0.4813286     0.8314266      0.6815400     0.6991593      0.6798660 
1 1 1 22 13 4  o 2.791666       0.4940514     2.533969       0.7037753     3.042053       0.6937215 
1 1 1 22 13 5  o 6.378179       0.5148308     7.116874       0.7425211     5.694278       0.7144513 
1 1 1 22 13 6  o 11.92337       0.5370157     11.93360       0.7651670     11.91343       0.7538688 
1 1 1 22 13 7  o 9.473283       0.5299747     9.160729       0.7569725     9.773788       0.7422395 
1 1 1 22 13 8  o 3.753994       0.5081832     4.412817       0.7226616     3.109494       0.7147626 
1 1 1 22 13 9  o 1.823969       0.4601174     1.834444       0.7005600     1.816023       0.6101723 
1 1 1 22 13 10 o 2.059753       0.4936541     2.177091       0.8010871     1.987915       0.6268098 
1 1 1 22 13 11 o 0.3740447      0.4890861     0.6706563      0.7937146     0.1924811      0.6209902 
1 1 1 22 13 12 o -0.5478716     0.4811257     -0.5019615     0.7901818     -0.5749198     0.6065152 
1 1 1 22 13 13 o 0.4124060      0.4757876     0.2502215      0.7812067     0.5080386      0.5998799 
1 1 1 22 13 14 o -0.1040444     0.4604298     0.4414885      0.7757383     -0.4007561     0.5721002 
1 1 1 22 14 0  o -0.5957373E-01 0.6968510     -0.5957373E-01 0.4927480     ?              ?         
1 1 1 22 14 1  o -0.6860653E-01 0.5022427     0.8746213E-01  0.7053856     -0.2290817     0.7152745 
1 1 1 22 14 2  f 1.870411       0.5058610     1.943585       0.7099910     1.794965       0.7209254 
1 1 1 22 14 3  f 4.421478       0.5118730     4.787240       0.7216365     4.051096       0.7261804 
1 1 1 22 14 4  o 10.64910       0.5517982     10.09493       0.7786101     11.20827       0.7821228 
1 1 1 22 14 5  o 9.333424       0.5466463     10.18315       0.7874208     8.542918       0.7594849 
1 1 1 22 14 6  o 5.056983       0.5189599     4.605821       0.7328628     5.510759       0.7349820 
1 1 1 22 14 7  o 1.473241       0.5193629     1.629474       0.7360894     1.318358       0.7329010 
1 1 1 22 14 8  o 0.1294005      0.4904954     -1.377617      0.7186555     1.443620       0.6711130 
1 1 1 22 14 9  o -0.5268167E-01 0.5154823     -0.6339721     0.8282086     0.3149026      0.6585999 
1 1 1 22 14 10 o 0.2211216      0.5051542     0.6478428      0.8118774     -0.4843451E-01 0.6452722 
1 1 1 22 14 11 o -0.8138589     0.4960165     -0.3368953     0.7899205     -1.124352      0.6373336 
1 1 1 22 14 12 f 0.6739935      0.4886195     1.263587       0.8151910     0.3433947      0.6104270 
1 1 1 22 14 13 o 0.6383703      0.5073918     2.632527       0.8432470     -0.4933910     0.6352616 
1 1 1 22 15 0  o -0.5131902E-01 0.7363321     -0.5131902E-01 0.5206654     ?              ?         
1 1 1 22 15 1  f 0.2688681      0.5271136     -0.5244287     0.7427632     1.073753       0.7481687 
1 1 1 22 15 2  o 1.567231       0.5207301     1.388844       0.7348235     1.747180       0.7380342 
1 1 1 22 15 3  o 4.303729       0.5362744     2.507408       0.7501730     6.181135       0.7669174 
1 1 1 22 15 4  o 4.214100       0.5316464     4.387095       0.7514735     4.040747       0.7522500 
1 1 1 22 15 5  o 2.470962       0.5229749     2.259122       0.7535933     2.667764       0.7263550 
1 1 1 22 15 6  o 0.6324396      0.5005380     1.292399       0.7304053     0.4808569E-01  0.6872953 
1 1 1 22 15 7  o 0.5059746      0.5012175     1.074774       0.7327526     0.5836135E-02  0.6871045 
1 1 1 22 15 8  f 0.9649395      0.4945443     1.081837       0.7234884     0.8624151      0.6775519 
1 1 1 22 15 9  o 0.1971065      0.5298298     -0.6199277     0.8538650     0.7086477      0.6756307 
1 1 1 22 15 10 o 1.038090       0.5377475     0.9186633      0.8646361     1.113423       0.6867181 
1 1 1 22 15 11 f 3.000954       0.5338462     2.819316       0.8571168     3.116075       0.6823627 
1 1 1 22 16 0  o 11.76260       0.8402915     11.76260       0.5941758     ?              ?         
1 1 1 22 16 1  o 9.410008       0.5900456     10.19919       0.8418431     8.647953       0.8272492 
1 1 1 22 16 2  o 5.462730       0.5662020     5.460845       0.8029491     5.464595       0.7985303 
1 1 1 22 16 3  o 1.959966       0.5549953     1.977510       0.7955630     1.943334       0.7746197 
1 1 1 22 16 4  f 1.180596       0.5341295     0.6461970      0.7808625     1.650499       0.7322274 
1 1 1 22 16 5  o 2.189086       0.5138592     2.325929       0.7720795     2.080267       0.6884952 
1 1 1 22 16 6  o 1.836318       0.5216482     1.776736       0.7842664     1.883593       0.6985887 
1 1 1 22 16 7  f 1.201828       0.5181562     0.4370728      0.7763715     1.816085       0.6957986 
1 1 1 22 16 8  f 0.7799631      0.5304642     0.6819300      0.8425103     0.8443509      0.6827955 
1 1 1 22 16 9  o 0.5267045      0.5313925     -0.1956487E-01 0.8361318     0.8968515      0.6882693 
1 1 1 22 17 0  o 5.758422       0.8258674     5.758422       0.5839764     ?              ?         
1 1 1 22 17 1  o 6.344117       0.5850699     6.450989       0.8344712     6.240785       0.8205326 
1 1 1 22 17 2  o 3.894600       0.5684509     4.021717       0.8218157     3.777987       0.7871276 
1 1 1 22 17 3  o 3.849030       0.5654847     4.162337       0.7976325     3.532428       0.8018163 
1 1 1 22 17 4  f 1.865351       0.5366796     1.890610       0.7953904     1.844239       0.7271510 
1 1 1 22 17 5  o 0.7360861      0.5268124     0.9967083      0.7920129     0.5292808      0.7055169 
1 1 1 22 17 6  o 1.228485       0.5295821     1.609355       0.7870653     0.9134030      0.7158711 
1 1 1 23 0  0  o -0.9743673     0.8113326     -0.9743673     0.5736988     ?              ?         
1 1 1 23 0  1  o 2.072284       0.5814948     2.072284       0.4111789     ?              ?         
1 1 1 23 0  2  o 3.976867       0.5913664     3.976867       0.4181592     ?              ?         
1 1 1 23 0  3  o 0.4422029      0.5894084     0.4422029      0.4167747     ?              ?         
1 1 1 23 0  4  f 0.4073502      0.5788060     0.4073502      0.4092776     ?              ?         
1 1 1 23 0  5  f 0.8772416      0.5531693     0.8772416      0.3911498     ?              ?         
1 1 1 23 0  6  o 0.9581598      0.5561910     0.9581598      0.3932864     ?              ?         
1 1 1 23 0  7  o 0.7570320      0.5499444     0.7570320      0.3888694     ?              ?         
1 1 1 23 0  8  o 1.120176       0.5683517     1.120176       0.4018853     ?              ?         
1 1 1 23 0  9  o 2.813734       0.5560445     2.813734       0.3931828     ?              ?         
1 1 1 23 0  10 o 0.7715829E-01  0.5457082     0.7715829E-01  0.3858740     ?              ?         
1 1 1 23 0  11 o 4.809181       0.5736440     4.809181       0.4056276     ?              ?         
1 1 1 23 0  12 o 7.240659       0.5593506     7.240659       0.3955206     ?              ?         
1 1 1 23 0  13 o 4.657594       0.5315699     4.657594       0.3758767     ?              ?         
1 1 1 23 0  14 o 1.895861       0.5109652     1.895861       0.3613069     ?              ?         
1 1 1 23 0  15 o 2.566427       0.4924996     2.566427       0.3482498     ?              ?         
1 1 1 23 0  16 o 6.598114       0.6093901     6.598114       0.4309039     ?              ?         
1 1 1 23 0  17 f 4.214572       0.5582932     4.214572       0.3947729     ?              ?         
1 1 1 23 0  18 o -0.3263789     0.5162715     -0.3263789     0.3650590     ?              ?         
1 1 1 23 0  19 o 0.8903198      0.5099931     0.8903198      0.3606196     ?              ?         
1 1 1 23 1  0  o 0.1747459      0.5740656     0.1747459      0.4059257     ?              ?         
1 1 1 23 1  1  o 1.426114       0.4166923     1.371683       0.5899864     1.480291       0.5885997 
1 1 1 23 1  2  o 4.164378       0.4259057     3.846581       0.5927795     4.503494       0.6123400 
1 1 1 23 1  3  o 10.61264       0.4609482     10.43589       0.6362009     10.80796       0.6687769 
1 1 1 23 1  4  o 8.823279       0.4441921     9.344527       0.6062582     8.219167       0.6526715 
1 1 1 23 1  5  f 3.529420       0.4205118     3.985374       0.5762891     3.010183       0.6149818 
1 1 1 23 1  6  f 0.3895324      0.3975560     0.3382100      0.5668228     0.4392241      0.5577454 
1 1 1 23 1  7  o 1.452387       0.3968796     1.499868       0.5677602     1.407016       0.5550023 
1 1 1 23 1  8  o 0.6662999      0.3936613     0.3524691      0.5592467     0.9745249      0.5542294 
1 1 1 23 1  9  o 0.7292808      0.3902377     1.451821       0.5557854     0.2670081E-01  0.5480549 
1 1 1 23 1  10 f 2.443021       0.3907862     2.211734       0.5598574     2.662779       0.5457238 
1 1 1 23 1  11 o 1.557199       0.3837726     0.9111621      0.5475085     2.181192       0.5380870 
1 1 1 23 1  12 o -0.3266074     0.3662724     -0.2057111     0.5202618     -0.4454125     0.5157425 
1 1 1 23 1  13 o 0.3654064      0.3609054     0.7772841      0.5128201     -0.3877862E-01 0.5080085 
1 1 1 23 1  14 f 2.327975       0.3654264     1.368769       0.5265474     3.219240       0.5075574 
1 1 1 23 1  15 f 3.617462       0.3787862     3.591323       0.6029805     3.634501       0.4868340 
1 1 1 23 1  16 o 1.339026       0.4007688     1.549809       0.5816694     1.148533       0.5529647 
1 1 1 23 1  17 o 0.8688428      0.3865486     0.8142748      0.5584898     0.9190211      0.5355556 
1 1 1 23 1  18 o 1.437786       0.3750171     0.9591393      0.5342194     1.902826       0.5265718 
1 1 1 23 1  19 o 0.7944365      0.3474979     0.9550679      0.4745283     0.6086812      0.5102906 
1 1 1 23 2  0  o 3.936537       0.6137409     3.936537       0.4339804     ?              ?         
1 1 1 23 2  1  o 4.333485       0.4281717     4.052304       0.6018709     4.621602       0.6092489 
1 1 1 23 2  2  o 5.219632       0.4146595     5.643841       0.5668291     4.731261       0.6081872 
1 1 1 23 2  3  o 0.8721711      0.4039523     1.779231       0.5630231     -0.9008343E-01 0.5799003 
1 1 1 23 2  4  f 0.3482648      0.4073734     0.8128853      0.5586464     -0.1793735     0.5953275 
1 1 1 23 2  5  o 0.4298933      0.4175005     0.5127158      0.5751547     0.3376450      0.6070015 
1 1 1 23 2  6  o 1.724518       0.4169780     1.251589       0.5652598     2.289089       0.6176025 
1 1 1 23 2  7  o 6.816317       0.4449260     6.983439       0.6195040     6.638284       0.6394087 
1 1 1 23 2  8  o 17.37979       0.4866502     17.03993       0.6972690     17.70258       0.6795286 
1 1 1 23 2  9  o 16.30534       0.4804868     15.76041       0.6839230     16.83643       0.6751833 
1 1 1 23 2  10 o 5.104954       0.4109018     4.923985       0.5930530     5.272039       0.5698473 
1 1 1 23 2  11 o 0.3083160      0.3763880     -0.1490797     0.5601217     0.6849007      0.5082386 
1 1 1 23 2  12 o 0.7926700E-02  0.3703808     0.5429916      0.5439039     -0.4547362     0.5057679 
1 1 1 23 2  13 o 1.029450       0.3632933     0.8304415      0.5291116     1.206947       0.4996978 
1 1 1 23 2  14 o 1.902252       0.3548790     2.103128       0.5319716     1.741173       0.4763688 
1 1 1 23 2  15 o 1.719269       0.3658286     1.475080       0.5913456     1.870663       0.4656223 
1 1 1 23 2  16 o 0.3136359      0.3946112     0.1359837      0.5693305     0.4778905      0.5474419 
1 1 1 23 2  17 o 0.7726973E-01  0.3734090     -0.6540205E-01 0.5351220     0.2126710      0.5213090 
1 1 1 23 2  18 o 0.5685356      0.3472559     0.5305126      0.4822800     0.6094711      0.5004095 
1 1 1 23 2  19 o 0.6406676      0.3949085     1.314025       0.5715436     0.2551684E-01  0.5462824 
1 1 1 23 3  0  o -0.2559692     0.5532035     -0.2559692     0.3911740     ?              ?         
1 1 1 23 3  1  o 1.641796       0.3975731     1.255195       0.5508127     2.062271       0.5744376 
1 1 1 23 3  2  f 3.307511       0.4126859     3.435606       0.5618657     3.157454       0.6081277 
1 1 1 23 3  3  o 2.984883       0.4227370     3.438191       0.5819163     2.478323       0.6151477 
1 1 1 23 3  4  f 0.2129437      0.4164135     -0.2925846     0.5803612     0.7493487      0.5978222 
1 1 1 23 3  5  o 1.412869       0.4237406     1.365419       0.5887590     1.463861       0.6103432 
1 1 1 23 3  6  o 7.541757       0.4489666     6.804424       0.6077995     8.427224       0.6660622 
1 1 1 23 3  7  o 10.82300       0.4710016     11.11628       0.6591983     10.51713       0.6732165 
1 1 1 23 3  8  o 4.458545       0.4295776     4.362970       0.5915894     4.565151       0.6247992 
1 1 1 23 3  9  o 0.3697545      0.3986564     1.190153       0.5964687     -0.2926008     0.5359458 
1 1 1 23 3  10 o 3.290450       0.4025494     3.168069       0.5856252     3.400069       0.5542511 
1 1 1 23 3  11 o 3.193242       0.3941333     3.271489       0.5733457     3.123138       0.5426938 
1 1 1 23 3  12 o 2.197232       0.3818635     2.160949       0.5636845     2.228007       0.5191352 
1 1 1 23 3  13 o 1.286609       0.3737475     1.155311       0.5603794     1.391811       0.5016080 
1 1 1 23 3  14 o 1.325889       0.3545113     1.139078       0.5352037     1.471929       0.4732099 
1 1 1 23 3  15 o 0.5194380      0.3585997     0.7560634      0.5925947     0.3827263      0.4504325 
1 1 1 23 3  16 o 1.129571       0.3865593     0.5817562      0.5537883     1.650125       0.5398337 
1 1 1 23 3  17 o 0.5508485      0.3603359     1.063754       0.5125149     0.4947954E-01  0.5067183 
1 1 1 23 3  18 o -0.4494277     0.4049357     -0.4886085     0.6004372     -0.4167413     0.5484223 
1 1 1 23 3  19 f -0.3145212     0.5448803     -0.4227856     0.8257420     -0.2310228     0.7251708 
1 1 1 23 4  0  o 1.316569       0.5700482     1.316569       0.4030849     ?              ?         
1 1 1 23 4  1  o 0.9390759      0.4028000     0.7142698      0.5672259     1.167759       0.5720958 
1 1 1 23 4  2  o 1.393413       0.4077382     1.507321       0.5666004     1.271068       0.5872094 
1 1 1 23 4  3  o -0.1309007E-02 0.4077444     -0.7299146E-01 0.5604547     0.7929488E-01  0.5943087 
1 1 1 23 4  4  o 1.424112       0.4177663     1.678161       0.5834806     1.156884       0.5984244 
1 1 1 23 4  6  o 1.013961       0.4258250     1.277387       0.5857237     0.7186437      0.6201663 
1 1 1 23 4  7  o 1.446344       0.4178957     1.506331       0.5733198     1.378344       0.6104101 
1 1 1 23 4  8  o 2.351914       0.4326406     2.022254       0.5947857     2.722311       0.6304644 
1 1 1 23 4  9  o 2.654062       0.4283549     2.170000       0.5933836     3.180818       0.6189985 
1 1 1 23 4  10 o 0.4919221      0.3870358     0.8512164      0.5740690     0.1925143      0.5240473 
1 1 1 23 4  11 o -0.2478577     0.3793738     -0.6013387     0.5642325     0.4379747E-01  0.5125189 
1 1 1 23 4  12 f 2.821506       0.3900690     3.686655       0.5984474     2.182453       0.5143385 
1 1 1 23 4  13 o 2.989000       0.4174363     2.119412       0.5832827     3.902011       0.5976683 
1 1 1 23 4  14 o 1.067783       0.3775971     1.273007       0.6227743     0.9484825      0.4748305 
1 1 1 23 4  15 o 0.1732185      0.3554291     0.5303977      0.5986387     -0.2124237E-01 0.4417105 
1 1 1 23 4  16 o -0.2118909E-02 0.3191864     -0.1911299     0.5475430     0.9517351E-01  0.3928386 
1 1 1 23 4  17 o -0.2284963     0.3218511     -0.3279655     0.4728979     -0.1426629     0.4392903 
1 1 1 23 4  18 o 0.6474142      0.5610699     0.4402387      0.8784142     0.7901835      0.7292014 
1 1 1 23 4  19 o 1.466550       0.6199126     0.5424129      0.9640865     2.117975       0.8094314 
1 1 1 23 5  0  o 2.146729       0.5673803     2.146729       0.4011985     ?              ?         
1 1 1 23 5  1  o 0.8604295      0.4070655     0.8834223      0.5734500     0.8370759      0.5779312 
1 1 1 23 5  2  o 0.4973205      0.4013527     0.8509683      0.5652107     0.1376331      0.5700166 
1 1 1 23 5  3  f 2.750157       0.4659657     3.007570       0.6602095     2.494661       0.6577474 
1 1 1 23 5  4  o 3.700121       0.4296789     3.168646       0.5934585     4.285688       0.6229274 
1 1 1 23 5  5  o 3.290838       0.4315152     3.558549       0.5979088     2.999814       0.6233982 
1 1 1 23 5  6  o 5.415783       0.4514882     4.930050       0.6155294     5.981457       0.6642521 
1 1 1 23 5  7  o 7.507153       0.4604608     6.920602       0.6312144     8.174309       0.6731904 
1 1 1 23 5  8  f 5.420738       0.4456724     5.261765       0.6221935     5.588249       0.6386818 
1 1 1 23 5  9  o 1.126119       0.4268756     0.8917661      0.6065638     1.356088       0.6008630 
1 1 1 23 5  10 o 0.4535957      0.4160106     0.3436494      0.5859905     0.5653138      0.5906932 
1 1 1 23 5  11 o 1.068346       0.4056228     0.8801184      0.5788805     1.249904       0.5685340 
1 1 1 23 5  12 f 1.146932       0.3812673     1.109648       0.5784051     1.175580       0.5070084 
1 1 1 23 5  13 o 0.6789978      0.3754372     0.1635290      0.5905898     1.028573       0.4863571 
1 1 1 23 5  14 o 0.6045505      0.3739986     -0.1703932     0.6345178     1.017111       0.4629695 
1 1 1 23 5  15 o 1.341772       0.3492566     1.384517       0.6041074     1.320312       0.4280420 
1 1 1 23 5  16 o 1.489490       0.3181085     0.9184224      0.5604688     1.760881       0.3863723 
1 1 1 23 5  17 o 3.563221       0.4085939     3.537942       0.6317233     3.581403       0.5357442 
1 1 1 23 5  18 o 1.795460       0.5891182     1.848710       0.9224280     1.758777       0.7655969 
1 1 1 23 6  0  o 0.8130746      0.5806065     0.8130746      0.4105508     ?              ?         
1 1 1 23 6  1  o 2.094010       0.4090783     2.212914       0.5724753     1.969944       0.5847686 
1 1 1 23 6  2  o 0.7931398      0.4109826     1.247232       0.5793928     0.3332829      0.5830588 
1 1 1 23 6  3  f 0.6744100      0.4169475     0.2524992      0.5915325     1.091000       0.5877908 
1 1 1 23 6  4  o 2.992150       0.4147002     3.046259       0.5848789     2.937446       0.5880836 
1 1 1 23 6  5  o 3.589445       0.4305095     3.616383       0.6115962     3.562989       0.6061057 
1 1 1 23 6  6  o 3.463245       0.4417542     3.150907       0.6214713     3.782231       0.6280502 
1 1 1 23 6  7  o 1.935069       0.4393784     2.946727       0.6162380     0.8889623      0.6266425 
1 1 1 23 6  8  f 0.9428201      0.4286833     0.6447484      0.6189880     1.217558       0.5942667 
1 1 1 23 6  9  o 1.406550       0.4242926     1.650524       0.5932149     1.151015       0.6071069 
1 1 1 23 6  10 o 0.7600563      0.4278413     0.7606552      0.6046764     0.7594559      0.6054422 
1 1 1 23 6  11 o 0.6014906      0.4245625     0.2193672      0.6211600     0.9365275      0.5816315 
1 1 1 23 6  12 o 0.8148806      0.4125942     1.372302       0.6069003     0.3358553      0.5626067 
1 1 1 23 6  13 o 0.4522494      0.3729489     0.4342610      0.5881588     0.4643458      0.4823106 
1 1 1 23 6  14 f 0.4807869      0.3829592     0.9172904      0.6464720     0.2447969      0.4753382 
1 1 1 23 6  15 o 0.4990915      0.3406306     0.1335212      0.5995972     0.6732967      0.4139090 
1 1 1 23 6  16 o 1.040588       0.3017302     0.8951885E-01  0.5262522     1.506356       0.3682754 
1 1 1 23 6  17 o 0.7933884      0.5967548     -0.7279182E-01 0.9117845     1.442459       0.7892854 
1 1 1 23 6  18 o 1.619840       0.6020036     2.447530       0.9217371     1.004144       0.7949805 
1 1 1 23 7  0  o 0.7982246      0.5887498     0.7982246      0.4163090     ?              ?         
1 1 1 23 7  1  o 1.515014       0.4250179     1.558915       0.5869152     1.466608       0.6162925 
1 1 1 23 7  2  o 0.6651746      0.4184632     0.6471636      0.5906435     0.6833269      0.5929560 
1 1 1 23 7  3  o 2.786101       0.4359505     2.722575       0.6237448     2.846769       0.6095542 
1 1 1 23 7  4  o 9.359965       0.4630067     8.876909       0.6539920     9.845387       0.6555915 
1 1 1 23 7  5  o 15.42912       0.5150028     15.45826       0.7370764     15.40132       0.7198761 
1 1 1 23 7  6  o 12.18310       0.4878396     12.47794       0.6946051     11.89609       0.6853077 
1 1 1 23 7  7  o 8.741084       0.4640462     8.305766       0.6621988     9.161130       0.6504790 
1 1 1 23 7  8  o 4.004578       0.4548647     3.772702       0.6505167     4.226410       0.6362715 
1 1 1 23 7  9  o 3.586347       0.4450622     3.708501       0.6369042     3.469775       0.6221801 
1 1 1 23 7  10 o 1.925150       0.4319986     2.116257       0.6310573     1.756610       0.5926285 
1 1 1 23 7  11 o 0.8604744      0.4307486     1.155566       0.6191390     0.5836512      0.5996683 
1 1 1 23 7  12 o -0.5317237E-01 0.4146928     0.2267021      0.6126762     -0.2897975     0.5633520 
1 1 1 23 7  13 f 0.5171178      0.4184416     0.5251694      0.6693542     0.5119526      0.5361125 
1 1 1 23 7  14 o 0.2197681      0.3663276     -0.9934331E-01 0.6412691     0.3743487      0.4463202 
1 1 1 23 7  15 f 0.3177560      0.3415582     0.4384107      0.6133792     0.2635290      0.4112110 
1 1 1 23 7  16 o 0.6932328      0.2906578     0.2548367      0.5107837     0.9031691      0.3534659 
1 1 1 23 7  17 o 0.7597677      0.6169634     0.4808843      0.9418067     0.9694131      0.8165696 
1 1 1 23 8  0  o 0.4544319      0.6008864     0.4544319      0.4248908     ?              ?         
1 1 1 23 8  1  o 2.933968       0.4354794     3.064941       0.6221380     2.808150       0.6097699 
1 1 1 23 8  2  o 8.261748       0.4644814     8.300159       0.6568698     8.223335       0.6568819 
1 1 1 23 8  3  o 12.26491       0.5190606     11.22034       0.7256920     13.35910       0.7427297 
1 1 1 23 8  4  o 8.141214       0.4672974     7.838706       0.6637981     8.438422       0.6579573 
1 1 1 23 8  5  o 2.433279       0.4405510     2.629262       0.6267809     2.241914       0.6193519 
1 1 1 23 8  6  o 1.992975       0.4367287     2.480813       0.6334980     1.551134       0.6028932 
1 1 1 23 8  7  o 3.574064       0.4484735     2.769993       0.6382571     4.358193       0.6302927 
1 1 1 23 8  8  o 3.770108       0.4499352     3.265486       0.6437134     4.252148       0.6291455 
1 1 1 23 8  9  o 2.060561       0.4470169     1.084833       0.6337342     3.026760       0.6306320 
1 1 1 23 8  10 o 0.9524496      0.4326309     0.6355186      0.6284604     1.237925       0.5964583 
1 1 1 23 8  11 o 0.3941842      0.4270428     1.092059       0.6347302     -0.1829518     0.5772176 
1 1 1 23 8  12 o 1.844676       0.4273197     1.826044       0.6284488     1.860699       0.5827751 
1 1 1 23 8  13 o 2.243647       0.4431911     2.054106       0.7120467     2.363513       0.5662448 
1 1 1 23 8  14 o -0.3410412E-01 0.4094554     0.5684602E-01  0.6805141     -0.8571469E-01 0.5126309 
1 1 1 23 8  15 o 0.1789750      0.3493548     0.1117063      0.6214824     0.2100511      0.4224118 
1 1 1 23 8  16 o -0.9427332E-01 0.2846382     0.8623761E-01  0.5250973     -0.1693847     0.3387200 
1 1 1 23 8  17 f -0.2376219     0.6492493     -0.3425935     1.004503      -0.1623062     0.8508604 
1 1 1 23 9  0  o 10.26503       0.6899755     10.26503       0.4878864     ?              ?         
1 1 1 23 9  1  o 9.110838       0.4797520     9.146085       0.6729490     9.074410       0.6841330 
1 1 1 23 9  2  o 3.503161       0.4545670     3.660247       0.6480309     3.350996       0.6378008 
1 1 1 23 9  3  o 0.7938405      0.4432434     0.6207040      0.6202044     0.9745911      0.6336951 
1 1 1 23 9  4  o 0.2389842      0.4501138     0.3936777      0.6387914     0.8643615E-01  0.6343461 
1 1 1 23 9  5  o -0.2583595     0.4386602     -0.1664903     0.6190490     -0.3510106     0.6216778 
1 1 1 23 9  6  o -0.3122095E-01 0.4408319     -0.1972550     0.6313066     0.1267783      0.6158420 
1 1 1 23 9  7  o 0.7704291      0.4590200     0.5535473      0.6488573     0.9877057      0.6494476 
1 1 1 23 9  8  o 0.3320160      0.4590397     0.1932449      0.6520013     0.4684111      0.6463955 
1 1 1 23 9  9  o 1.423624       0.4509747     1.236194       0.6539897     1.593553       0.6227087 
1 1 1 23 9  10 o 0.9640452      0.4451545     0.6465009      0.6392866     1.262943       0.6202327 
1 1 1 23 9  11 o 3.597752       0.4423949     3.708484       0.6556735     3.505215       0.5993899 
1 1 1 23 9  12 o 5.112943       0.4697144     5.449817       0.7551078     4.900317       0.5999075 
1 1 1 23 9  13 o 6.545518       0.4735847     6.479959       0.7472215     6.589534       0.6122606 
1 1 1 23 9  14 o 2.930436       0.4320221     2.930247       0.6985135     2.930553       0.5497903 
1 1 1 23 9  15 o 0.8717182      0.3919572     1.353480       0.6451256     0.5898237      0.4934822 
1 1 1 23 9  16 o -0.2317417     0.3012570     0.5629477      0.5829843     -0.5212572     0.3518795 
1 1 1 23 10 0  o 12.00631       0.7409694     12.00631       0.5239445     ?              ?         
1 1 1 23 10 1  o 11.04296       0.5106033     11.11750       0.7226108     10.96863       0.7215945 
1 1 1 23 10 2  o 8.333385       0.4921000     8.662135       0.6970748     8.006777       0.6947998 
1 1 1 23 10 3  f 5.977377       0.4857836     6.323822       0.6863109     5.629534       0.6876947 
1 1 1 23 10 4  o 4.411271       0.5044950     4.523604       0.7348360     4.311118       0.6938538 
1 1 1 23 10 5  o 2.098861       0.4697065     1.943912       0.6695384     2.249023       0.6591148 
1 1 1 23 10 6  o 2.196299       0.4685584     1.749338       0.6630847     2.642066       0.6621993 
1 1 1 23 10 7  o 1.622844       0.4635479     1.892745       0.6682197     1.372476       0.6435854 
1 1 1 23 10 8  o 0.2665696      0.4646225     -0.3813241     0.6665652     0.8788369      0.6479796 
1 1 1 23 10 9  o 0.6636764      0.4640311     0.8909640      0.6668890     0.4503494      0.6460835 
1 1 1 23 10 10 o 0.9967954      0.4502890     1.547534       0.6503154     0.4895603      0.6241027 
1 1 1 23 10 11 o 2.775394       0.4594409     2.812525       0.6711671     2.742651       0.6302559 
1 1 1 23 10 12 o 1.413662       0.4729547     0.9720178      0.7453962     1.711285       0.6119048 
1 1 1 23 10 13 o 0.9307873      0.4513160     1.152087       0.7387280     0.7989997      0.5700741 
1 1 1 23 10 14 o 0.1821301      0.4288866     0.4894610      0.6916017     -0.9913074E-02 0.5467041 
1 1 1 23 10 15 f 0.5406742E-01  0.3985899     0.6266062      0.6537356     -0.2847135     0.5028740 
1 1 1 23 11 0  o 0.9517252E-01  0.6852705     0.9517252E-01  0.4845594     ?              ?         
1 1 1 23 11 1  o 0.5913257      0.4778237     0.4337837      0.6708689     0.7535324      0.6807286 
1 1 1 23 11 2  o 1.955293       0.4858813     1.534624       0.6975376     2.351783       0.6771938 
1 1 1 23 11 3  o 5.294955       0.4970821     4.889319       0.6946348     5.720687       0.7116339 
1 1 1 23 11 4  o 11.02788       0.5255698     11.78522       0.7472110     10.28632       0.7393866 
1 1 1 23 11 5  o 12.98593       0.5386280     12.59455       0.7555961     13.39030       0.7680261 
1 1 1 23 11 6  o 6.982457       0.5044181     6.188085       0.7150707     7.769249       0.7116514 
1 1 1 23 11 7  o 1.907058       0.4757034     1.907778       0.6852684     1.906389       0.6608863 
1 1 1 23 11 8  o -0.2441767     0.4692015     -1.565389      0.6814459     0.9468260      0.6469958 
1 1 1 23 11 9  o 0.4545311E-02  0.4684484     -0.4223557E-01 0.6660725     0.5033201E-01  0.6589569 
1 1 1 23 11 10 o 0.4794181      0.4784884     0.9705769      0.6977637     0.4342996E-01  0.6574076 
1 1 1 23 11 11 o 1.633016       0.5012745     1.370793       0.7712696     1.824792       0.6595801 
1 1 1 23 11 12 o 1.365239       0.4937861     2.265901       0.7730893     0.7446130      0.6417465 
1 1 1 23 11 13 o 1.042942       0.4651072     0.4548801      0.7542416     1.403771       0.5908125 
1 1 1 23 11 14 o 1.827462       0.4543156     2.030295       0.7433510     1.706523       0.5739950 
1 1 1 23 12 0  o 7.518591       0.7253495     7.518591       0.5128996     ?              ?         
1 1 1 23 12 1  o 6.856791       0.5106649     7.290312       0.7267593     6.434006       0.7177044 
1 1 1 23 12 2  o 4.767708       0.5044515     5.379323       0.7305275     4.210261       0.6974274 
1 1 1 23 12 3  o 2.671854       0.4945874     2.723634       0.6998524     2.620192       0.6990526 
1 1 1 23 12 4  o 0.6787421      0.4952988     0.6234168      0.7043507     0.7328612      0.6966298 
1 1 1 23 12 5  o -0.2555656     0.5002068     0.1046298      0.7128179     -0.6050129     0.7021022 
1 1 1 23 12 6  o 0.2483251      0.4914632     0.4472107      0.6969166     0.5157423E-01  0.6931663 
1 1 1 23 12 7  o 0.8621874      0.4935142     1.123924       0.7036381     0.6087683      0.6923673 
1 1 1 23 12 8  o 0.8333367      0.4896601     1.274015       0.7074560     0.4280847      0.6784239 
1 1 1 23 12 9  f 0.5381688      0.4958363     1.071727       0.7295643     0.8016451E-01  0.6759388 
1 1 1 23 12 10 o 1.652643       0.4799558     2.298601       0.6991352     1.076859       0.6600683 
1 1 1 23 12 11 o 1.336625       0.5071912     1.830028       0.8041766     1.010724       0.6535720 
1 1 1 23 12 12 o 2.177996       0.4990042     2.355615       0.8013402     2.065497       0.6377450 
1 1 1 23 12 13 o 1.325787       0.5143229     0.5945960      0.9149648     1.663562       0.6218738 
1 1 1 23 13 0  o 2.110785       0.9397250     2.110785       0.6644859     ?              ?         
1 1 1 23 13 2  o 2.517554       0.4960576     2.727694       0.6925225     2.296112       0.7109014 
1 1 1 23 13 3  o 3.613285       0.5070680     3.869381       0.7160451     3.355670       0.7181646 
1 1 1 23 13 4  o 3.375369       0.5147053     3.776341       0.7236958     2.964935       0.7321849 
1 1 1 23 13 5  o 2.234593       0.5176690     1.944023       0.7351190     2.520430       0.7291069 
1 1 1 23 13 6  o -0.3087277     0.5083420     0.9565350E-01  0.7221699     -0.7058762     0.7156824 
1 1 1 23 13 7  o -0.1038528E-01 0.5070433     -0.1274582     0.7246534     0.1019106      0.7097151 
1 1 1 23 13 8  o -0.1101129     0.5222305     -0.2750906     0.7611724     0.3660881E-01  0.7178235 
1 1 1 23 13 9  o 0.3339292      0.5073952     0.4842220      0.7353899     0.1973734      0.7009768 
1 1 1 23 13 10 o 0.7824165      0.5308295     1.049469       0.8321596     0.5991968      0.6892777 
1 1 1 23 13 11 o 1.288354       0.4997933     1.424643       0.8358644     1.212512       0.6235382 
1 1 1 23 14 0  o 0.1914788      0.7601751     0.1914788      0.5375250     ?              ?         
1 1 1 23 14 1  o -0.6449737     0.5136202     -0.2480474E-01 0.7414240     -1.217209      0.7121947 
1 1 1 23 14 2  f 0.6376226      0.5141686     1.066836       0.7337248     0.2234686      0.7207377 
1 1 1 23 14 3  o 0.3736048      0.5182740     1.655442       0.7491267     -0.8031953     0.7177781 
1 1 1 23 14 4  o 0.9854345      0.5167509     0.7424113      0.7395884     1.217235       0.7223101 
1 1 1 23 14 5  o 0.1912572      0.5285621     0.6080769      0.7566856     -0.2059191     0.7386403 
1 1 1 23 14 6  o 0.9441402      0.5255848     0.2182633      0.7461313     1.659061       0.7404792 
1 1 1 23 14 7  o -0.4581460     0.5192714     -0.2067091     0.7491728     -0.6906363     0.7203936 
1 1 1 23 14 8  f 0.4236517E-01  0.5137243     -0.1853245     0.7323121     0.2629861      0.7208551 
1 1 1 23 14 9  f -0.1690044     0.5117052     -0.5543271     0.7223824     0.2190573      0.7249454 
1 1 1 23 15 0  o -0.4341749     0.7644099     -0.4341749     0.5405194     ?              ?         
1 1 1 23 15 1  o 0.2651816      0.5272218     0.7322462      0.7403042     -0.2155019     0.7510197 
1 1 1 23 15 2  o 1.219752       0.5358980     1.351087       0.7537827     1.085526       0.7620330 
1 1 1 23 15 3  o -0.5693939     0.5239338     -0.9764422     0.7486572     -0.1786774     0.7334844 
1 1 1 23 15 4  o 0.1529643      0.5403283     0.7700688      0.7713817     -0.4414975     0.7570978 
1 1 1 23 15 5  o -0.3546160E-01 0.5405648     -0.4577118     0.7572060     0.4033989      0.7719557 
1 1 1 23 15 6  o 0.2758923      0.5405139     1.046142       0.7741936     -0.4565868     0.7549729 
1 1 1 23 15 7  o 0.9366547E-02  0.5311382     0.1073907      0.7465601     -0.9110201E-01 0.7558112 
1 1 1 23 16 0  f 0.5582031      0.7823626     0.5582031      0.5532139     ?              ?         
1 1 1 23 16 1  o 0.1271169E-01  0.5515662     -0.6286744     0.7826387     0.6456246      0.7774519 
1 1 1 23 16 2  o -0.6776060     0.5670229     -0.2326857     0.7979900     -1.131335      0.8058506 
1 1 1 23 16 3  f 0.5000356      0.7040822     1.471463       1.169209      -0.5265214E-01 0.8819157 
1 1 1 24 0  0  o 4.200172       0.8650697     4.200172       0.6116967     ?              ?         
1 1 1 24 0  1  o 4.185380       0.6166097     4.185380       0.4360089     ?              ?         
1 1 1 24 0  2  o 10.15485       0.6614169     10.15485       0.4676924     ?              ?         
1 1 1 24 0  3  o 6.652413       0.6408321     6.652413       0.4531367     ?              ?         
1 1 1 24 0  4  o 2.291278       0.6250620     2.291278       0.4419856     ?              ?         
1 1 1 24 0  5  o -0.1628670     0.5804542     -0.1628670     0.4104431     ?              ?         
1 1 1 24 0  6  o 0.3044928      0.5738252     0.3044928      0.4057557     ?              ?         
1 1 1 24 0  7  o -0.3326630     0.5846459     -0.3326630     0.4134071     ?              ?         
1 1 1 24 0  8  o 2.103018       0.5811006     2.103018       0.4109002     ?              ?         
1 1 1 24 0  9  o 0.3224290      0.5738251     0.3224290      0.4057556     ?              ?         
1 1 1 24 0  10 o 0.1879862      0.5766114     0.1879862      0.4077258     ?              ?         
1 1 1 24 0  11 f 0.2915829      0.5664573     0.2915829      0.4005458     ?              ?         
1 1 1 24 0  12 o 1.968922       0.5585585     1.968922       0.3949605     ?              ?         
1 1 1 24 0  13 o 4.385705       0.5641564     4.385705       0.3989188     ?              ?         
1 1 1 24 0  14 o 3.343200       0.5437835     3.343200       0.3845130     ?              ?         
1 1 1 24 0  15 o 1.453683       0.5147661     1.453683       0.3639946     ?              ?         
1 1 1 24 0  16 o 0.3352141      0.5850561     0.3352141      0.4136972     ?              ?         
1 1 1 24 0  17 o -0.7000006     0.5730804     -0.7000006     0.4052290     ?              ?         
1 1 1 24 1  0  o 1.002120       0.5953855     1.002120       0.4210011     ?              ?         
1 1 1 24 1  1  f 0.4914989      0.4272390     0.4859399      0.5926182     0.4975151      0.6165039 
1 1 1 24 1  2  o -0.5920091     0.4251221     -0.7819870     0.5993170     -0.3996074     0.6031280 
1 1 1 24 1  3  o 1.558896       0.4128056     1.477880       0.5548254     1.659359       0.6178351 
1 1 1 24 1  4  o 5.897604       0.4408048     5.735555       0.6029784     6.083620       0.6460302 
1 1 1 24 1  5  o 5.527650       0.4450166     5.193692       0.6137127     5.897951       0.6462436 
1 1 1 24 1  6  o 3.979303       0.4249437     3.609734       0.6049643     4.339250       0.5970364 
1 1 1 24 1  7  o 1.548621       0.4192633     1.130420       0.5984259     1.951798       0.5875786 
1 1 1 24 1  8  f 2.959665       0.4214034     3.271175       0.6031520     2.662593       0.5890085 
1 1 1 24 1  9  o 5.624263       0.4316274     5.361094       0.6106657     5.886998       0.6101614 
1 1 1 24 1  10 f 6.085608       0.4356587     8.120169       0.6307858     4.229909       0.6024213 
1 1 1 24 1  11 o 1.982157       0.4074046     1.958700       0.5856482     2.004153       0.5671131 
1 1 1 24 1  12 o 1.791468       0.4010196     1.403759       0.5755736     2.157226       0.5590422 
1 1 1 24 1  13 o 2.213691       0.3890472     2.185779       0.5618836     2.239396       0.5392084 
1 1 1 24 1  14 o 3.742871       0.3909737     2.854072       0.5696147     4.534606       0.5376127 
1 1 1 24 1  15 f 3.201432       0.3694332     2.801554       0.5322078     3.573292       0.5132241 
1 1 1 24 1  16 f 1.941919       0.4208137     1.757899       0.6024238     2.117279       0.5880765 
1 1 1 24 1  17 f 0.2202645      0.4125876     -0.5671526     0.5906445     0.9706368      0.5765834 
1 1 1 24 2  0  o 3.119298       0.6350333     3.119298       0.4490364     ?              ?         
1 1 1 24 2  1  o 6.090777       0.4501062     6.433792       0.6406488     5.756411       0.6325215 
1 1 1 24 2  2  o 10.36149       0.4658091     10.65612       0.6361536     10.02093       0.6839472 
1 1 1 24 2  3  f 14.54823       0.4917602     13.56748       0.6663372     15.72131       0.7287546 
1 1 1 24 2  4  o 15.94110       0.5040316     14.74994       0.6862094     17.33668       0.7427613 
1 1 1 24 2  5  o 11.94571       0.4872684     11.86194       0.6596746     12.04629       0.7228543 
1 1 1 24 2  6  o 5.107187       0.4527859     5.730796       0.6251225     4.418949       0.6567171 
1 1 1 24 2  7  o 2.118989       0.4445820     1.834652       0.6048143     2.453220       0.6557360 
1 1 1 24 2  8  o 0.4259643      0.4225465     1.167024       0.6123578     -0.2476011     0.5838061 
1 1 1 24 2  9  o 1.831338       0.4246007     1.698320       0.6097490     1.956561       0.5916138 
1 1 1 24 2  10 f 5.302655       0.5081154     5.132974       0.6376405     5.597852       0.8410370 
1 1 1 24 2  11 o 9.704667       0.4451025     9.804144       0.6466489     9.615101       0.6135913 
1 1 1 24 2  12 o 5.763735       0.4189445     5.500341       0.6124999     5.995297       0.5742976 
1 1 1 24 2  13 o 1.880546       0.3967209     1.646993       0.5760387     2.091276       0.5471700 
1 1 1 24 2  14 o 0.4267792      0.3769920     0.4260421      0.5559490     0.4274066      0.5129390 
1 1 1 24 2  15 o -0.1546014     0.3852386     -0.4561500     0.6226578     0.3241742E-01  0.4903582 
1 1 1 24 2  16 o 1.257089       0.4222728     1.760740       0.6082406     0.7884642      0.5867090 
1 1 1 24 2  17 o 0.6663029      0.4185507     0.6600986      0.5941447     0.6724151      0.5897201 
1 1 1 24 3  0  o 0.7918398      0.5949579     0.7918398      0.4206988     ?              ?         
1 1 1 24 3  1  o 3.292754       0.4307633     3.765641       0.5990682     2.786496       0.6198456 
1 1 1 24 3  2  o 8.392434       0.4899674     8.825954       0.6488147     7.817097       0.7474421 
1 1 1 24 3  3  o 9.571237       0.4678910     9.349369       0.6344966     9.835694       0.6927267 
1 1 1 24 3  4  f 4.066304       0.4464501     4.364489       0.6068179     3.714439       0.6591789 
1 1 1 24 3  5  o 0.9295146      0.4382350     0.9445472      0.5979973     0.9120758      0.6440812 
1 1 1 24 3  6  f 0.6625307      0.4462351     0.6142226      0.6068335     0.7194094      0.6584674 
1 1 1 24 3  7  o -0.2077634E-01 0.4401424     -0.1907121     0.6111564     0.1623342      0.6344050 
1 1 1 24 3  8  o 3.122217       0.4774268     3.057075       0.6675611     3.190422       0.6830730 
1 1 1 24 3  9  o 5.103536       0.4478292     5.032647       0.6382788     5.172267       0.6284870 
1 1 1 24 3  10 o 4.266577       0.4572953     3.642643       0.6305493     4.958858       0.6641876 
1 1 1 24 3  11 o 0.7320300      0.4070926     0.8215989      0.5912508     0.6512930      0.5613444 
1 1 1 24 3  12 o 0.5049511      0.3963991     0.2425076      0.5857636     0.7266784      0.5384111 
1 1 1 24 3  13 o -0.8335656E-01 0.3902368     0.6915759E-01  0.5753077     -0.2133304     0.5310960 
1 1 1 24 3  14 f 0.7769805      0.3827668     1.118617       0.5673427     0.4915603      0.5185678 
1 1 1 24 3  15 o 0.4299534E-01  0.3758661     0.2130682      0.6170985     -0.5731184E-01 0.4739178 
1 1 1 24 3  16 f 0.3772826      0.3599874     0.3913725E-01  0.5845436     0.5838856      0.4569131 
1 1 1 24 4  0  o 9.187354       0.6489111     9.187354       0.4588494     ?              ?         
1 1 1 24 4  1  o 6.202958       0.4393885     6.115561       0.6120365     6.295910       0.6311842 
1 1 1 24 4  2  o 0.4721791      0.4139587     1.174243       0.5999929     -0.1656158     0.5718712 
1 1 1 24 4  3  o 1.076986       0.4265068     0.9174225      0.5827960     1.260994       0.6258457 
1 1 1 24 4  4  f 5.084126       0.4504518     4.969363       0.6116593     5.220129       0.6658559 
1 1 1 24 4  5  o 4.854175       0.4556415     5.635884       0.6256408     3.971287       0.6648984 
1 1 1 24 4  6  o 1.271378       0.4430419     1.624001       0.6144583     0.8895513      0.6393972 
1 1 1 24 4  7  o 0.3826391      0.4428212     -0.3861799E-01 0.6165338     0.8315203      0.6364275 
1 1 1 24 4  8  o 0.6088037      0.4337456     0.3636296      0.6071137     0.8644171      0.6199042 
1 1 1 24 4  9  o 0.2395724      0.4358703     0.3675703      0.6105508     0.1065372      0.6224487 
1 1 1 24 4  10 o 0.4980170      0.4151976     0.3985739E-01  0.6072217     0.9003089      0.5689965 
1 1 1 24 4  11 o 1.880451       0.4091818     2.666614       0.6006193     1.199553       0.5589644 
1 1 1 24 4  12 o 1.149504       0.4001211     1.651052       0.6031621     0.7553307      0.5347143 
1 1 1 24 4  13 o 0.4685177E-01  0.3896637     -0.3224558     0.5928604     0.3277237      0.5170262 
1 1 1 24 4  14 o 1.390743       0.3844122     1.618099       0.5816358     1.214406       0.5122353 
1 1 1 24 4  15 o 2.748273       0.3804522     3.146326       0.6355209     2.525940       0.4749635 
1 1 1 24 4  16 o 2.041849       0.3590724     1.673643       0.5948607     2.252913       0.4503781 
1 1 1 24 5  0  o 0.2278875      0.5903035     0.2278875      0.4174076     ?              ?         
1 1 1 24 5  1  f 0.6935872      0.4167992     0.1247783      0.5854101     1.278345       0.5935605 
1 1 1 24 5  2  o 0.6890878      0.4194848     0.7707167      0.5910679     0.6062473      0.5954385 
1 1 1 24 5  3  o 1.014030       0.4222316     1.312783       0.5917268     0.7041184      0.6026751 
1 1 1 24 5  4  o 2.024957       0.4348970     2.352981       0.6217908     1.710808       0.6084990 
1 1 1 24 5  5  o 1.906140       0.4485052     2.511883       0.6158189     1.221884       0.6545122 
1 1 1 24 5  6  o 1.894335       0.4528382     2.425835       0.6361827     1.348470       0.6447226 
1 1 1 24 5  7  f 1.061662       0.4682432     0.7667332      0.6828504     1.323423       0.6433091 
1 1 1 24 5  8  o 0.1984310      0.4420025     0.3760349      0.6147100     0.8308364E-02  0.6360056 
1 1 1 24 5  9  o 0.6222396      0.4405312     0.5818232      0.6096276     0.6664091      0.6373040 
1 1 1 24 5  10 f 3.239337       0.4472804     3.515754       0.6283408     2.955387       0.6368449 
1 1 1 24 5  11 o 3.977413       0.4234211     3.357111       0.6335343     4.478184       0.5692299 
1 1 1 24 5  12 o 2.037327       0.4124778     2.687054       0.6399094     1.575473       0.5395178 
1 1 1 24 5  13 o 0.1036497      0.3919967     -0.1118202     0.6151866     0.2509380      0.5086251 
1 1 1 24 5  14 o 1.088219       0.4302533     1.095772       0.7824209     1.084945       0.5151312 
1 1 1 24 5  15 o -0.1507735     0.3701176     -0.2620711     0.6324853     -0.9281386E-01 0.4564262 
1 1 1 24 5  16 o 0.7415007      0.3435026     1.212305       0.5793909     0.4863232      0.4265526 
1 1 1 24 6  0  o 0.2909084      0.6024973     0.2909084      0.4260300     ?              ?         
1 1 1 24 6  1  o 0.4777653      0.4286434     0.4776858      0.5984756     0.4778490      0.6142174 
1 1 1 24 6  2  o -0.3817721     0.4283880     -1.000931      0.5977663     0.2719695      0.6142337 
1 1 1 24 6  3  f 0.7854225E-01  0.4373791     0.6727293      0.6137417     -0.5346265     0.6234679 
1 1 1 24 6  4  o 0.4763018      0.4298451     1.091789       0.6111643     -0.1261811     0.6046732 
1 1 1 24 6  5  o 1.786785       0.4443745     0.7649243      0.6189650     2.873704       0.6383649 
1 1 1 24 6  6  f 1.341448       0.4412474     1.744354       0.6325146     0.9594875      0.6158550 
1 1 1 24 6  7  o 1.875538       0.4603356     2.375596       0.6524433     1.379841       0.6495919 
1 1 1 24 6  8  o 3.459813       0.4608237     3.698558       0.6587198     3.230977       0.6449062 
1 1 1 24 6  9  o 2.354909       0.4618777     2.760421       0.6473327     1.934372       0.6592167 
1 1 1 24 6  10 f 2.576538       0.4549916     2.619255       0.6338722     2.531137       0.6534867 
1 1 1 24 6  11 o 1.150334       0.4408798     0.8684408      0.6415590     1.402576       0.6068815 
1 1 1 24 6  12 o 0.7319185      0.4038846     1.200011       0.6346071     0.4132395      0.5236195 
1 1 1 24 6  13 o 1.100156       0.3952732     1.381934       0.6206819     0.9079111      0.5126770 
1 1 1 24 6  14 o 0.8747571      0.3940820     1.120130       0.6864352     0.7541257      0.4813006 
1 1 1 24 6  15 o 0.7045075      0.3717812     0.3847074E-01  0.6580647     1.016759       0.4505799 
1 1 1 24 7  0  o 3.485318       0.6425055     3.485318       0.4543200     ?              ?         
1 1 1 24 7  1  o 5.143481       0.4567735     5.901066       0.6366721     4.339939       0.6556986 
1 1 1 24 7  2  o 1.774860       0.4449921     1.840838       0.6231085     1.706186       0.6357084 
1 1 1 24 7  3  f 2.799224       0.4573911     2.954241       0.6441237     2.641556       0.6496086 
1 1 1 24 7  4  o 2.433999       0.4574129     2.336892       0.6428562     2.533575       0.6509792 
1 1 1 24 7  6  o 1.494278       0.4620756     1.054836       0.6623797     1.910855       0.6449173 
1 1 1 24 7  7  f 1.882636       0.4569499     2.522824       0.6569688     1.282680       0.6359911 
1 1 1 24 7  8  o 1.135262       0.4493593     1.344902       0.6436532     0.9359308      0.6276297 
1 1 1 24 7  9  o 2.023344       0.4623654     2.899426       0.6607886     1.182948       0.6471904 
1 1 1 24 7  10 o 1.218118       0.4514856     1.041350       0.6580482     1.375334       0.6205910 
1 1 1 24 7  11 o 1.796214       0.4607509     1.609032       0.6684309     1.965662       0.6359801 
1 1 1 24 7  12 o 4.024203       0.4682823     5.078621       0.6769225     3.056490       0.6484942 
1 1 1 24 7  13 o 4.321051       0.4270170     3.754054       0.7156669     4.634504       0.5321172 
1 1 1 24 7  14 o 2.479193       0.4000333     2.030314       0.7090865     2.688754       0.4844951 
1 1 1 24 7  15 f 0.3860787      0.3916051     0.7431836      0.7409738     0.2476775      0.4612910 
1 1 1 24 8  0  o 1.228391       0.6377667     1.228391       0.4509692     ?              ?         
1 1 1 24 8  1  o 1.851142       0.4601861     2.005910       0.6471458     1.692826       0.6545198 
1 1 1 24 8  2  o 0.1821852      0.4569923     0.7682507E-02  0.6341085     0.3707657      0.6591903 
1 1 1 24 8  3  o 1.918566       0.4640231     2.363986       0.6689055     1.505384       0.6442444 
1 1 1 24 8  4  f 1.273451       0.4602739     1.665360       0.6400891     0.8538332      0.6623316 
1 1 1 24 8  5  o 1.691781       0.4677669     2.280834       0.6632205     1.108723       0.6598369 
1 1 1 24 8  6  o 0.9136759      0.4604074     0.9681240      0.6645715     0.8634250      0.6384430 
1 1 1 24 8  7  o 1.649505       0.4606853     2.173001       0.6460876     1.108068       0.6570660 
1 1 1 24 8  8  f 2.207081       0.4678650     2.103947       0.6800439     2.299771       0.6446927 
1 1 1 24 8  9  f 2.971241       0.4656866     2.116817       0.6632625     3.801957       0.6539960 
1 1 1 24 8  10 o 2.143404       0.4557322     2.909405       0.6699662     1.483715       0.6217381 
1 1 1 24 8  11 o 2.232554       0.4560432     2.624555       0.6753096     1.903907       0.6183350 
1 1 1 24 8  12 o 1.631543       0.4473549     1.254810       0.6490892     1.972401       0.6174098 
1 1 1 24 8  13 o 2.179142       0.4633915     2.211994       0.7481869     2.158697       0.5902227 
1 1 1 24 8  14 o 2.688983       0.4376501     2.402024       0.7189760     2.857899       0.5516202 
1 1 1 24 9  0  o 0.4304204      0.6506687     0.4304204      0.4600922     ?              ?         
1 1 1 24 9  1  o 1.215169       0.4675672     1.730774       0.6506598     0.6646104      0.6723533 
1 1 1 24 9  2  o 2.215268       0.4736993     2.124465       0.6679835     2.307126       0.6718571 
1 1 1 24 9  3  o 3.112571       0.4769388     2.761290       0.6731897     3.466586       0.6758046 
1 1 1 24 9  4  o 7.034472       0.5058558     6.136415       0.7018776     8.005166       0.7297102 
1 1 1 24 9  5  o 10.99049       0.5226856     10.53850       0.7460662     11.42618       0.7324988 
1 1 1 24 9  6  o 9.255443       0.5274317     10.21412       0.7400206     8.265681       0.7519238 
1 1 1 24 9  7  f 4.565911       0.4815007     4.146175       0.6863497     4.972681       0.6756656 
1 1 1 24 9  8  o 1.625747       0.4748933     1.753824       0.6886730     1.509628       0.6557381 
1 1 1 24 9  9  o 1.090303       0.4712742     1.625073       0.6835616     0.6058303      0.6506225 
1 1 1 24 9  10 o 1.726001       0.4622757     1.181503       0.6872593     2.175910       0.6247196 
1 1 1 24 9  11 o 0.8307668      0.4546384     0.9447191      0.6867408     0.7418578      0.6066025 
1 1 1 24 9  12 o -0.3032266     0.4293279     0.3630251      0.6503479     -0.8178524     0.5715739 
1 1 1 24 9  13 o 0.2780684      0.4459019     0.2748049      0.7356610     0.2799637      0.5606219 
1 1 1 24 10 0  o 2.689675       0.6844223     2.689675       0.4839596     ?              ?         
1 1 1 24 10 1  o 2.749668       0.4899210     2.506686       0.7043219     2.977443       0.6819266 
1 1 1 24 10 2  o 1.328482       0.4895922     1.973721       0.6919109     0.6814600      0.6928660 
1 1 1 24 10 3  o 2.176387       0.4906314     2.476275       0.6965303     1.881058       0.6912153 
1 1 1 24 10 4  o 2.605913       0.5062613     2.458141       0.7171862     2.752680       0.7147433 
1 1 1 24 10 5  o 1.564711       0.4946695     1.289713       0.7001404     1.838811       0.6989978 
1 1 1 24 10 6  o 0.6564927      0.4836253     0.9430938      0.6893728     0.3787363      0.6786520 
1 1 1 24 10 7  o 0.2914898      0.4809723     0.2861988      0.6990881     0.2962451      0.6627601 
1 1 1 24 10 8  o 1.781338       0.4782478     1.751787       0.6892124     1.808780       0.6641714 
1 1 1 24 10 9  o 4.151733       0.4900586     4.294930       0.7171140     4.026266       0.6712520 
1 1 1 24 10 10 o 3.526989       0.4901066     3.323307       0.7251302     3.698290       0.6649980 
1 1 1 24 10 11 o 5.203993       0.4872712     5.498677       0.7178984     4.952260       0.6635208 
1 1 1 24 10 12 o 5.169142       0.4990845     4.959843       0.7919267     5.307038       0.6428020 
1 1 1 24 11 0  o 1.492286       0.6795357     1.492286       0.4805043     ?              ?         
1 1 1 24 11 1  f 2.620548       0.5000858     1.863776       0.6975517     3.420819       0.7173188 
1 1 1 24 11 2  o 2.727964       0.5083305     2.410144       0.7296540     3.027695       0.7085847 
1 1 1 24 11 3  o 1.913557       0.5090701     2.526868       0.7308256     1.335493       0.7095149 
1 1 1 24 11 4  f 1.707229       0.4995720     2.279123       0.6993943     1.111483       0.7138299 
1 1 1 24 11 5  o 0.2954551E-01  0.5039754     -0.2141074     0.7198576     0.2637803      0.7058079 
1 1 1 24 11 6  o 1.360023       0.5022699     1.312200       0.7194601     1.405490       0.7015136 
1 1 1 24 11 7  o 4.470811       0.5092083     4.241920       0.7266910     4.691618       0.7137420 
1 1 1 24 11 8  o 4.270700       0.5177257     4.221804       0.7413178     4.317255       0.7233618 
1 1 1 24 11 9  o 2.279924       0.5032286     1.812781       0.7241973     2.716093       0.6997762 
1 1 1 24 11 10 o 1.123701       0.4817217     0.9313074      0.7085226     1.289088       0.6569154 
1 1 1 24 11 11 o -0.6324317     0.8136021     -0.2802729     1.089570      -1.076271      1.223204  
1 1 1 24 12 0  f -0.4885237     0.7042814     -0.4885237     0.4980021     ?              ?         
1 1 1 24 12 1  o 1.160947       0.5015838     0.8535162      0.7081296     1.470500       0.7105699 
1 1 1 24 12 2  o 1.118313       0.5264313     0.9387690      0.7463850     1.296042       0.7426018 
1 1 1 24 12 3  f 1.147819       0.5130234     0.9528961      0.7180841     1.351036       0.7332013 
1 1 1 24 12 4  o 0.4504370      0.5154541     0.3333357E-01  0.7283862     0.8688621      0.7295393 
1 1 1 24 12 5  o 1.345922       0.5182605     1.580014       0.7373252     1.117328       0.7286146 
1 1 1 24 12 6  o 1.356934       0.5133085     0.2192162      0.7247372     2.502159       0.7271244 
1 1 1 24 12 7  o 1.063329       0.5077710     1.103298       0.7324055     1.026338       0.7045948 
1 1 1 24 12 8  o 1.583009       0.5137411     1.638323       0.7549486     1.535303       0.7011141 
1 1 1 24 12 9  o 1.787511       0.5292636     1.808835       0.7425210     1.765488       0.7546088 
1 1 1 24 13 0  o 0.2123502      0.7388155     0.2123502      0.5224215     ?              ?         
1 1 1 24 13 1  f 1.557288       0.5353997     0.9509807      0.7474808     2.196082       0.7672449 
1 1 1 24 13 2  o 0.6230953      0.5149804     0.1050429      0.7112312     1.194019       0.7466432 
1 1 1 24 13 3  o 0.1703753      0.5243756     0.4265554      0.7422965     -0.8481690E-01 0.7408638 
1 1 1 24 13 4  o 0.4903154E-01  0.5308844     0.3027051      0.7571089     -0.1963387     0.7446148 
1 1 1 24 13 5  o 1.791598       0.5273696     1.827441       0.7542636     1.757318       0.7376407 
1 1 1 24 13 6  o 0.2805909      0.5198573     0.3625895      0.7520480     0.2055539      0.7194157 
1 1 1 24 13 7  o 1.380697       0.7691815     0.3012345      1.048987      2.636077       1.131238  
1 1 1 24 14 0  o 2.837410       0.7558585     2.837410       0.5344726     ?              ?         
1 1 1 24 14 1  o 2.951537       0.5439860     2.724390       0.7665390     3.182001       0.7721162 
1 1 1 24 14 2  o 1.378177       0.6051587     1.456434       0.8496322     1.297596       0.8621525 
1 1 1 24 14 3  o 1.072107       0.7431815     -0.2351728     1.018274      2.562181       1.087137  
1 1 1 25 0  0  o 0.7960505      0.9161610     0.7960505      0.6478236     ?              ?         
1 1 1 25 0  1  o 0.7696291      0.6423945     0.7696291      0.4542415     ?              ?         
1 1 1 25 0  2  o 0.7674264      0.6356232     0.7674264      0.4494535     ?              ?         
1 1 1 25 0  3  o 0.8480546      0.6608429     0.8480546      0.4672865     ?              ?         
1 1 1 25 0  4  o 2.001295       0.5991001     2.001295       0.4236277     ?              ?         
1 1 1 25 0  5  f 3.331558       0.6254003     3.331558       0.4422248     ?              ?         
1 1 1 25 0  6  f 2.601302       0.6232832     2.601302       0.4407278     ?              ?         
1 1 1 25 0  7  o 0.7321147      0.6189615     0.7321147      0.4376719     ?              ?         
1 1 1 25 0  8  o 1.030120       0.6139528     1.030120       0.4341302     ?              ?         
1 1 1 25 0  9  f 0.5065219      0.6130550     0.5065219      0.4334953     ?              ?         
1 1 1 25 0  10 o 0.6371038      0.6052091     0.6371038      0.4279474     ?              ?         
1 1 1 25 0  11 f -0.1118233     0.5987985     -0.1118233     0.4234144     ?              ?         
1 1 1 25 0  12 o 0.3796435      0.5853407     0.3796435      0.4138984     ?              ?         
1 1 1 25 0  13 o -0.3261861E-01 0.5625925     -0.3261861E-01 0.3978130     ?              ?         
1 1 1 25 0  14 o 0.4196672      0.5554195     0.4196672      0.3927409     ?              ?         
1 1 1 25 1  0  o 27.08152       0.8826746     27.08152       0.6241452     ?              ?         
1 1 1 25 1  1  o 22.80377       0.5893387     22.08411       0.8356292     23.51598       0.8312893 
1 1 1 25 1  2  o 10.26145       0.5046538     10.04165       0.7189427     10.47494       0.7085472 
1 1 1 25 1  3  o 4.090959       0.4572189     4.886392       0.6172476     3.123882       0.6805944 
1 1 1 25 1  4  o 1.869044       0.4515232     1.582936       0.6056203     2.227110       0.6775111 
1 1 1 25 1  5  o 2.736288       0.4558763     2.824912       0.6236404     2.634589       0.6680623 
1 1 1 25 1  6  o 2.714405       0.4372757     3.191203       0.6204271     2.243784       0.6163952 
1 1 1 25 1  7  o 1.526518       0.4379646     1.935227       0.6235638     1.128608       0.6152703 
1 1 1 25 1  8  o 0.9816672      0.4351166     1.244114       0.6200087     0.7269666      0.6107903 
1 1 1 25 1  9  o 0.5270700      0.4302741     0.4216440      0.6114665     0.6304742      0.6055753 
1 1 1 25 1  10 o 1.049257       0.4314859     1.228520       0.6216094     0.8825620      0.5994215 
1 1 1 25 1  11 o 0.5210666      0.4561899     0.5109364      0.6111830     0.5338100      0.6854925 
1 1 1 25 1  12 o 0.1790934      0.4084398     -0.3450963     0.5974998     0.6388976      0.5596030 
1 1 1 25 1  13 o 0.3435611      0.3945765     0.2846095      0.5650505     0.3996656      0.5512367 
1 1 1 25 1  14 o 0.1809534      0.3917643     1.214992       0.5685620     -0.7537867     0.5405737 
1 1 1 25 2  0  o 3.372336       0.6924087     3.372336       0.4896069     ?              ?         
1 1 1 25 2  1  o 4.448490       0.4567269     4.647165       0.6320299     4.231352       0.6607454 
1 1 1 25 2  2  f 7.158875       0.5296677     7.617104       0.7245799     6.633018       0.7762089 
1 1 1 25 2  3  o 5.819706       0.4728802     6.278453       0.6405784     5.270327       0.7010068 
1 1 1 25 2  4  o 0.9681447E-01  0.4594983     -0.8348927E-01 0.6316924     0.2994212      0.6696227 
1 1 1 25 2  5  o 0.2163068      0.4617016     0.7545234      0.6369082     -0.3797475     0.6702567 
1 1 1 25 2  6  o 2.300978       0.4686544     2.340744       0.6384733     2.254522       0.6900864 
1 1 1 25 2  7  o 1.345897       0.4392102     0.7966279      0.6306336     1.863282       0.6120570 
1 1 1 25 2  8  o 1.018711       0.4430456     0.3262204      0.6312370     1.691056       0.6219875 
1 1 1 25 2  9  o 2.161298       0.4405073     2.407643       0.6305858     1.926502       0.6156263 
1 1 1 25 2  10 o 1.849686       0.4412453     1.786571       0.6441298     1.905490       0.6056743 
1 1 1 25 2  11 o 2.622665       0.5330175     1.546829       0.7270392     3.872891       0.7837526 
1 1 1 25 2  12 o 0.5052847E-01  0.4113002     -0.8781446     0.6016448     0.8653346      0.5635544 
1 1 1 25 2  13 o 0.5920606      0.4002919     0.5610408      0.5930195     0.6180240      0.5425391 
1 1 1 25 2  14 o 0.6498765E-01  0.3930024     0.5205864      0.5820281     -0.3168105     0.5328066 
1 1 1 25 3  0  o 3.024113       0.6261014     3.024113       0.4427206     ?              ?         
1 1 1 25 3  1  o 3.120911       0.4581579     2.768644       0.6253584     3.529071       0.6731434 
1 1 1 25 3  2  f 1.659115       0.4614992     1.937660       0.6334942     1.344115       0.6736742 
1 1 1 25 3  3  o 0.1274034      0.4514806     -0.8151574     0.6150614     1.228631       0.6648173 
1 1 1 25 3  4  o 1.566151       0.4686041     0.9901364      0.6412779     2.226149       0.6864370 
1 1 1 25 3  5  o 3.581002       0.4690548     3.382320       0.6366941     3.816818       0.6936466 
1 1 1 25 3  6  o 1.928872       0.4622632     2.223508       0.6332099     1.592668       0.6764034 
1 1 1 25 3  7  o 0.4319592      0.4678214     0.8413213E-01  0.6469352     0.8132134      0.6773084 
1 1 1 25 3  8  o 2.115790       0.4682015     2.091055       0.6571582     2.141289       0.6672305 
1 1 1 25 3  9  o 1.907488       0.4484524     2.348896       0.6598526     1.528603       0.6113374 
1 1 1 25 3  10 o 1.736996       0.4357424     1.809817       0.6308643     1.670560       0.6025742 
1 1 1 25 3  11 o 2.517132       0.4313576     2.980744       0.6450917     2.142191       0.5801299 
1 1 1 25 3  12 o 2.552773       0.4221584     2.376639       0.6302246     2.696130       0.5685690 
1 1 1 25 3  13 f 0.2690633      0.4042984     -0.4970806E-01 0.6031211     0.5292031      0.5448392 
1 1 1 25 4  0  o 10.16355       0.6856101     10.16355       0.4847996     ?              ?         
1 1 1 25 4  1  o 5.922221       0.4656557     5.553080       0.6657348     6.275817       0.6515669 
1 1 1 25 4  2  o 1.428579       0.4524488     1.862015       0.6354603     0.9829308      0.6443506 
1 1 1 25 4  3  o 4.004388       0.4775424     3.874735       0.6623777     4.144717       0.6891091 
1 1 1 25 4  4  o 7.201016       0.4952127     6.035800       0.6793798     8.521977       0.7233604 
1 1 1 25 4  5  o 4.465055       0.4856681     3.925740       0.6638975     5.085938       0.7123346 
1 1 1 25 4  6  o 1.139429       0.4710221     1.519715       0.6486633     0.7152476      0.6850790 
1 1 1 25 4  7  f 2.856602       0.4684318     3.392445       0.6452869     2.259654       0.6810871 
1 1 1 25 4  8  o 2.890433       0.4716794     2.753115       0.6567184     3.036751       0.6778964 
1 1 1 25 4  9  o 2.883762       0.4713859     3.279394       0.6583751     2.467619       0.6752248 
1 1 1 25 4  10 o 2.174398       0.4425054     1.833153       0.6420072     2.483230       0.6107559 
1 1 1 25 4  11 f 1.487167       0.4309616     1.568107       0.6278122     1.415039       0.5926501 
1 1 1 25 4  12 o 0.7065516      0.4070345     0.7662974      0.6145025     0.6598464      0.5433157 
1 1 1 25 4  13 o 0.1000710      0.4052463     0.3785715      0.6129693     -0.1161709     0.5401266 
1 1 1 25 5  0  o -0.1104081     0.6498953     -0.1104081     0.4595454     ?              ?         
1 1 1 25 5  1  f 2.100979       0.4586584     2.421823       0.6614381     1.803817       0.6365590 
1 1 1 25 5  2  o 4.125583       0.4757676     4.219334       0.6861091     4.038752       0.6603063 
1 1 1 25 5  3  o 2.860057       0.4570838     2.791270       0.6482302     2.928078       0.6446131 
1 1 1 25 5  4  o 0.8463364E-01  0.4538124     0.3278623      0.6429139     -0.1568980     0.6406671 
1 1 1 25 5  5  o 1.589921       0.4738065     1.547363       0.6542674     1.636851       0.6870620 
1 1 1 25 5  6  o 4.727514       0.5042376     5.120458       0.6635145     4.190361       0.7757716 
1 1 1 25 5  7  o 4.213389       0.4913227     3.798250       0.6783328     4.671535       0.7126037 
1 1 1 25 5  8  o 2.894468       0.4781296     2.920676       0.6684857     2.867017       0.6841407 
1 1 1 25 5  9  f 1.054317       0.4712969     1.808404       0.6722607     0.3254726      0.6609130 
1 1 1 25 5  10 o 0.3784233      0.4568931     0.1785249      0.6395573     0.5867746      0.6529396 
1 1 1 25 5  11 o 1.262320       0.4364479     0.8726805      0.6499115     1.582379       0.5890309 
1 1 1 25 5  12 o 3.403483       0.4327230     3.729175       0.6632353     3.162081       0.5709965 
1 1 1 25 5  13 o 2.977700       0.5202268     2.817513       0.7462948     3.129112       0.7255666 
1 1 1 25 6  0  o 1.099140       0.6428701     1.099140       0.4545778     ?              ?         
1 1 1 25 6  1  f 1.135545       0.4593230     0.7945669      0.6469330     1.482163       0.6522614 
1 1 1 25 6  2  o 1.604881       0.4582097     2.065588       0.6467326     1.140527       0.6492877 
1 1 1 25 6  3  o 1.001894       0.4628592     0.6817615      0.6545746     1.322040       0.6545890 
1 1 1 25 6  4  o 1.072398       0.4671866     0.7362062      0.6477773     1.436826       0.6744317 
1 1 1 25 6  5  o 1.108537       0.4607604     1.701905       0.6602160     0.5451186      0.6433388 
1 1 1 25 6  6  o 0.9997175      0.4662325     0.7663334E-01  0.6600731     1.918781       0.6586339 
1 1 1 25 6  7  o 1.103612       0.4646313     1.299475       0.6461630     0.8939203      0.6685864 
1 1 1 25 6  8  o -0.3091204E-01 0.5403680     -0.2799224     0.9010280     0.1089550      0.6752852 
1 1 1 25 6  9  o 0.1249177      0.4680854     0.3735778      0.6538493     -0.1364955     0.6704066 
1 1 1 25 6  10 o 0.8550217      0.4638739     0.4317810      0.6652438     1.255569       0.6471633 
1 1 1 25 6  11 o 0.8304430      0.4585583     0.8714474      0.6625508     0.7927414      0.6353055 
1 1 1 25 6  12 o 2.141260       0.4309391     2.049506       0.6663150     2.207236       0.5650163 
1 1 1 25 7  0  f -0.7429984     0.6623687     -0.7429984     0.4683654     ?              ?         
1 1 1 25 7  1  o 0.2556147      0.4669428     0.4786695      0.6505506     0.1858484E-01  0.6706204 
1 1 1 25 7  2  o 0.8302052      0.4738963     1.058519       0.6658961     0.5959055      0.6745691 
1 1 1 25 7  3  o 0.5721020      0.4782311     0.1445645      0.6733061     1.007383       0.6793765 
1 1 1 25 7  4  o -0.3347641     0.4665676     0.6098877      0.6604273     -1.275985      0.6592268 
1 1 1 25 7  5  o 1.090589       0.4860663     1.089740       0.6870694     1.091439       0.6877340 
1 1 1 25 7  6  o 0.2352582      0.4788352     -0.4423831     0.6863558     0.8778181      0.6683535 
1 1 1 25 7  7  o 1.025227       0.4851164     1.514599       0.6964020     0.5638884      0.6761619 
1 1 1 25 7  8  o 1.985723       0.5270846     0.1117758      0.8508514     3.152684       0.6714341 
1 1 1 25 7  9  o 0.2267712      0.4766027     0.1852495      0.6691276     0.2695293      0.6790172 
1 1 1 25 7  10 f 0.5879133      0.4661113     1.014324       0.6685433     0.1845794      0.6502011 
1 1 1 25 7  11 o -0.9704384     0.4579288     -0.9097798     0.6762329     -1.021813      0.6223374 
1 1 1 25 8  0  o -0.5724965     0.6837113     -0.5724965     0.4834569     ?              ?         
1 1 1 25 8  1  o 1.578826       0.4772317     1.867322       0.6728618     1.286795       0.6769721 
1 1 1 25 8  2  o 2.064257       0.4928840     1.425654       0.6829806     2.758303       0.7120120 
1 1 1 25 8  3  o 2.028038       0.4947122     1.992640       0.6943836     2.064525       0.7049944 
1 1 1 25 8  4  o 0.8534985      0.4929259     1.557455       0.6926380     0.1310950      0.7016544 
1 1 1 25 8  5  o 1.374319       0.4935820     0.9396731      0.7142377     1.771636       0.6828785 
1 1 1 25 8  6  o 1.085877       0.4938678     1.863215       0.7040384     0.3328041      0.6929623 
1 1 1 25 8  7  f 1.783021       0.4977847     1.092677       0.7199282     2.415390       0.6890353 
1 1 1 25 8  8  o 1.113794       0.4855358     1.139946       0.7044340     1.090125       0.6701507 
1 1 1 25 8  9  f 0.9091421      0.4813134     0.6406450      0.6862754     1.169058       0.6752192 
1 1 1 25 8  10 o 0.3607592      0.4631991     0.5077229      0.6869226     0.2382158      0.6272603 
1 1 1 25 9  0  o 0.6791547      0.7061673     0.6791547      0.4993357     ?              ?         
1 1 1 25 9  1  o 0.3783310      0.4892862     -0.7530534     0.6895107     1.525903       0.6944258 
1 1 1 25 9  2  f 0.1243219      0.5000066     0.1042099      0.7136412     0.1437147      0.7007669 
1 1 1 25 9  3  o 0.8696122      0.4992950     1.279962       0.6912899     0.4220854      0.7219255 
1 1 1 25 9  4  o 0.4532030      0.5119728     0.7539021      0.7282950     0.1594317      0.7198564 
1 1 1 25 9  5  o -0.7167712E-01 0.4957059     -0.3613313     0.6904877     0.2363749      0.7120788 
1 1 1 25 9  6  o 0.7492595      0.4977730     -0.3973311     0.7043170     1.893511       0.7035983 
1 1 1 25 9  7  o -0.4532092     0.4891324     -0.6910226     0.7002876     -0.2266655     0.6834934 
1 1 1 25 9  8  o 0.2440375      0.4875053     0.2999068E-01  0.6875263     0.4604799      0.6913630 
1 1 1 25 9  9  o 0.4180815      0.4940321     0.9579875      0.7284169     -0.4182361E-01 0.6722876 
1 1 1 25 10 0  o 4.459969       0.7363286     4.459969       0.5206630     ?              ?         
1 1 1 25 10 1  o 5.444162       0.5197741     4.228388       0.7409005     6.622416       0.7293782 
1 1 1 25 10 2  o 5.678130       0.5253655     5.213278       0.7328863     6.169499       0.7535006 
1 1 1 25 10 3  o 5.469718       0.5274547     4.606443       0.7451507     6.336629       0.7467190 
1 1 1 25 10 4  o 3.161028       0.5186250     3.595795       0.7321396     2.723144       0.7347603 
1 1 1 25 10 5  o 2.253061       0.5115429     1.462576       0.7230687     3.045133       0.7237938 
1 1 1 25 10 6  o 2.310521       0.5119871     1.722687       0.7209136     2.908727       0.7272462 
1 1 1 25 10 7  o 0.9163738      0.5045371     0.8914353      0.7112117     0.9416393      0.7158574 
1 1 1 25 11 0  f 2.473552       0.7206897     2.473552       0.5096046     ?              ?         
1 1 1 25 11 1  o 3.241001       0.5269995     3.962239       0.7401522     2.499384       0.7505360 
1 1 1 25 11 2  o 1.034788       0.5118985     0.8785836      0.7206116     1.193907       0.7273024 
1 1 1 25 11 3  f 1.132171       0.5102929     1.630189       0.7163715     0.6191617      0.7270739 
1 1 1 25 11 4  f 0.6094545      0.5167115     0.4057106      0.7386611     0.8046879      0.7230694 
1 1 1 25 11 5  o 0.2647179      0.6696594     -0.3096462     1.036809      0.6758242      0.8771666 
1 1 1 26 0  0  f -0.1688882     0.9709244     -0.1688882     0.6865473     ?              ?         
1 1 1 26 0  1  o 0.7448083      0.6756796     0.7448083      0.4777776     ?              ?         
1 1 1 26 0  2  o 0.8149620      0.6965995     0.8149620      0.4925702     ?              ?         
1 1 1 26 0  3  o 1.565413       0.6857672     1.565413       0.4849107     ?              ?         
1 1 1 26 0  4  o 0.8765393      0.6407077     0.8765393      0.4530488     ?              ?         
1 1 1 26 0  5  f 1.048726       0.6380655     1.048726       0.4511804     ?              ?         
1 1 1 26 0  6  o 0.7581226      0.6484749     0.7581226      0.4585410     ?              ?         
1 1 1 26 0  7  o 1.639099       0.6419039     1.639099       0.4538946     ?              ?         
1 1 1 26 0  8  o -0.2255395     0.6385448     -0.2255395     0.4515194     ?              ?         
1 1 1 26 0  9  o -0.5336456     0.6219177     -0.5336456     0.4397622     ?              ?         
1 1 1 26 0  10 o 1.734080       0.6298192     1.734080       0.4453494     ?              ?         
1 1 1 26 1  0  o 0.7724919      0.7031654     0.7724919      0.4972130     ?              ?         
1 1 1 26 1  1  o 0.2560495      0.4842929     0.3168473      0.6845151     0.1951171      0.6852727 
1 1 1 26 1  2  o 0.4242005E-01  0.4723775     0.2077093      0.6692741     -0.1216583     0.6668180 
1 1 1 26 1  3  f 0.4913262      0.4712308     0.2422748      0.6470745     0.7725611      0.6876135 
1 1 1 26 1  4  o 1.435407       0.4761347     2.014261       0.6513655     0.7712014      0.6977361 
1 1 1 26 1  5  o 0.3096814      0.4749275     0.7181512      0.6541591     -0.1455928     0.6906213 
1 1 1 26 1  6  o 1.457041       0.4749171     1.805643       0.6775825     1.120417       0.6658400 
1 1 1 26 1  7  o 1.151944       0.4560516     1.165942       0.6409947     1.137594       0.6489883 
1 1 1 26 1  8  o -0.2441531     0.4532887     -0.1046929     0.6323963     -0.3915140     0.6500627 
1 1 1 26 1  9  o 0.3826797      0.4529952     -0.2882246     0.6414279     1.050264       0.6398388 
1 1 1 26 1  10 o -0.5627700E-02 0.4435878     -0.3139393     0.6346194     0.2889107      0.6202822 
1 1 1 26 2  0  o 3.596358       0.7208162     3.596358       0.5096940     ?              ?         
1 1 1 26 2  1  o 4.265718       0.5006127     4.732182       0.6894068     3.745388       0.7281255 
1 1 1 26 2  2  o 2.547634       0.4934063     1.768762       0.6726825     3.454662       0.7259181 
1 1 1 26 2  3  o 1.606086       0.4853514     1.450460       0.6573734     1.792580       0.7196239 
1 1 1 26 2  4  o 0.8788090      0.4756834     1.222969       0.6618873     0.5111630      0.6840982 
1 1 1 26 2  5  o 0.4172997      0.4807190     -0.6225307     0.6473985     1.695235       0.7177031 
1 1 1 26 2  6  o 0.6835330      0.4790610     0.4233848      0.6514189     0.9899470      0.7069753 
1 1 1 26 2  7  o 3.136011       0.4702623     3.303319       0.6658107     2.969464       0.6642946 
1 1 1 26 2  8  f 3.915557       0.4688733     3.485206       0.6784303     4.309065       0.6487398 
1 1 1 26 2  9  o 1.589236       0.4569326     1.568629       0.6552673     1.608740       0.6374996 
1 1 1 26 2  10 o 0.2760268E-01  0.4784834     1.038270       0.7074984     -0.8243200     0.6495631 
1 1 1 26 3  0  o 2.044801       0.7008964     2.044801       0.4956086     ?              ?         
1 1 1 26 3  1  o 0.2661116      0.4647187     -0.3206554E-01 0.6585783     0.5618259      0.6558530 
1 1 1 26 3  2  o -0.3948150     0.4795753     0.2841827E-01  0.6541216     -0.8867252     0.7051987 
1 1 1 26 3  3  o 3.996967       0.5062980     3.624572       0.7012724     4.402407       0.7317250 
1 1 1 26 3  4  o 10.89133       0.5521333     11.24916       0.7464221     10.45896       0.8204919 
1 1 1 26 3  5  o 15.15738       0.5554048     15.68589       0.7581545     14.54522       0.8159481 
1 1 1 26 3  6  o 13.99423       0.5565180     13.31203       0.7593610     14.78581       0.8179740 
1 1 1 26 3  7  o 8.797590       0.5216876     9.434216       0.7168272     8.080689       0.7606795 
1 1 1 26 3  8  o 4.668623       0.4729760     4.234335       0.6942394     5.044803       0.6461272 
1 1 1 26 3  9  o 2.159591       0.4623373     2.341710       0.6671325     1.991293       0.6413185 
1 1 1 26 4  0  o 1.513892       0.7096054     1.513892       0.5017668     ?              ?         
1 1 1 26 4  1  o 0.6979409      0.4963402     1.557844       0.7228886     -0.6900086E-01 0.6826967 
1 1 1 26 4  2  o 0.5447845      0.4772227     0.9935219      0.6774229     0.1026842      0.6723947 
1 1 1 26 4  3  o 2.269849       0.4844304     2.787519       0.6769063     1.726371       0.6935739 
1 1 1 26 4  4  o 1.955087       0.4978261     2.282661       0.6902289     1.599933       0.7186986 
1 1 1 26 4  5  o 1.110200       0.4895347     1.090983       0.6772072     1.131232       0.7084633 
1 1 1 26 4  6  o 0.8174073      0.4894437     0.5213490      0.6656684     1.165818       0.7221297 
1 1 1 26 4  7  o 1.619325       0.4921809     2.350081       0.6801254     0.8158887      0.7131461 
1 1 1 26 4  8  o 0.1400332      0.4773176     -0.4737078     0.6623481     0.8031338      0.6884674 
1 1 1 26 4  9  o 0.3893110      0.4867438     0.3916215      0.7129054     0.3872934      0.6661864 
1 1 1 26 5  0  o -0.8538786     0.6761844     -0.8538786     0.4781346     ?              ?         
1 1 1 26 5  1  f -0.2970247     0.4815394     -0.3081020     0.6735111     -0.2854408     0.6887435 
1 1 1 26 5  2  o 1.400129       0.4801344     1.798884       0.6868728     1.019118       0.6714162 
1 1 1 26 5  3  f 2.497396       0.4941434     2.592542       0.6937210     2.399398       0.7040418 
1 1 1 26 5  4  o 4.042068       0.4943054     4.355370       0.6972072     3.725424       0.7009143 
1 1 1 26 5  5  o 2.141389       0.4884043     1.954763       0.6916664     2.326983       0.6897536 
1 1 1 26 5  6  o 1.248820       0.4808337     0.8210398      0.6583234     1.737984       0.7039726 
1 1 1 26 5  7  o 1.752695       0.4873354     2.636339       0.6669490     0.7404610      0.7138296 
1 1 1 26 5  8  o 0.3087779      0.4887216     0.8890893      0.6788238     -0.3157088     0.7041872 
1 1 1 26 6  0  o 0.9558170      0.6822450     0.9558170      0.4824201     ?              ?         
1 1 1 26 6  1  f -0.7056710E-02 0.4934389     -0.3109915     0.6863585     0.3180780      0.7098923 
1 1 1 26 6  2  o 0.5594707      0.4911879     0.6996856      0.7093580     0.4303144      0.6808104 
1 1 1 26 6  3  o 1.610289       0.4985457     1.668243       0.7072132     1.553038       0.7029067 
1 1 1 26 6  4  o 2.831321       0.4917740     3.466622       0.6871952     2.164457       0.7040584 
1 1 1 26 6  5  o 2.279387       0.4858414     1.112252       0.7042315     3.339381       0.6711301 
1 1 1 26 6  6  f 1.406108       0.4850641     1.775336       0.6974522     1.060203       0.6750641 
1 1 1 26 6  7  o -0.2193716     0.4758844     -0.4202622     0.6752489     -0.2113261E-01 0.6707777 
1 1 1 26 7  0  f 1.427028       0.7333791     1.427028       0.5185773     ?              ?         
1 1 1 26 7  1  o 0.1633744      0.5017668     -0.5594063     0.6918848     0.9652544      0.7287612 
1 1 1 26 7  2  o 0.8442332      0.5076365     0.5595136      0.7121611     1.138330       0.7237930 
1 1 1 26 7  3  o 2.624908       0.5183740     3.096243       0.7332088     2.153874       0.7329744 
1 1 1 26 7  4  o 2.370551       0.5041494     2.635627       0.7120718     2.104126       0.7138814 
1 1 1 26 7  5  o 2.199736       0.4995693     2.449338       0.7163918     1.963462       0.6970025 
1 1 1 26 7  6  o 0.7336384      0.6730132     0.6171697      1.035059      0.8189457      0.8858369 
1 1 1 26 8  0  o 3.625838       0.7362882     3.625838       0.5206344     ?              ?         
1 1 1 26 8  1  o 5.336565       0.5259076     4.801224       0.7310623     5.910738       0.7571130 
1 1 1 26 8  2  o 5.412127       0.5223423     4.870134       0.7316210     5.975627       0.7459957 
1 1 1 26 8  3  o 4.757893       0.5768914     5.179453       0.7914304     4.279976       0.8426739 
1 1 1 26 8  4  o -0.5001681E-01 0.8614884     -1.322651      1.099541      1.973211       1.386379  
1 1 1 27 0  0  o -0.6121894     1.015512      -0.6121894     0.7180757     ?              ?         
1 1 1 27 0  1  o -0.4447711     0.7335613     -0.4447711     0.5187061     ?              ?         
1 1 1 27 0  2  o -0.9920194     0.7538328     -0.9920194     0.5330402     ?              ?         
1 1 1 27 0  3  o 0.9603865      1.232210      0.9603865      0.8713040     ?              ?         
1 1 1 27 1  0  o 0.5395688      0.7237204     0.5395688      0.5117476     ?              ?         
1 1 1 27 1  1  o 0.3811973      0.5202307     0.7496593      0.7301157     0.1206394E-02  0.7414500 
1 1 1 27 1  2  o -0.2276040     0.5796652     0.3728711E-01  0.7655872     -0.5834709     0.8873699 
1 1 1 27 1  3  o 0.7898973      0.8124110     0.6041811      1.053560      1.062300       1.275969  
1 1 1 27 2  0  o 0.5777848      0.7412809     0.5777848      0.5241647     ?              ?         
1 1 1 27 2  1  o 1.643172       0.6048754     1.568733       0.8105530     1.736725       0.9086778 
1 1 1 27 2  2  o 2.657808       0.8318397     2.301017       1.047667      3.266425       1.368321  
1 1 1 2  5  28 x ?              ?             ?              ?             ?              ?         
1 1 1 4  18 10 x ?              ?             ?              ?             ?              ?         
1 1 1 7  8  10 x ?              ?             ?              ?             ?              ?         
1 1 1 8  17 16 x ?              ?             ?              ?             ?              ?         
1 1 1 9  9  19 x ?              ?             ?              ?             ?              ?         
1 1 1 9  15 19 x ?              ?             ?              ?             ?              ?         
1 1 1 12 8  14 x ?              ?             ?              ?             ?              ?         
1 1 1 12 18 7  x ?              ?             ?              ?             ?              ?         
1 1 1 13 11 8  x ?              ?             ?              ?             ?              ?         
1 1 1 15 10 6  x ?              ?             ?              ?             ?              ?         
1 1 1 0  18 18 x ?              ?             ?              ?             ?              ?         
# 
#END OF REFLECTIONS
